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Propane-1,2,3-triyl Tris(3,5,5-trimethylhexanoate)

Flow Object IDfo-ff8f0672c3a64108
TypeConsensus
prefLabel
Label Language
Propane-1,2,3-triyl Tris(3,5,5-trimethylhexanoate) en
Alt Labels
Label Language Provenance
Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester en
CAS Numbers56554-53-1
EC Numbers260-257-1
Changes Applied26

Properties

Predicate Value
InChIKey FOHDPKZXJXMQGV-UHFFFAOYSA-N, QNESDXMHQYMNGD-UHFFFAOYSA-N, VGCRRRJKYKKCPO-UHFFFAOYSA-N
InChI InChI=1S/C12H20O2/c1-8(5-11(2,3)4)12-6-9(12)7-14-10(12)13/h8-9H,5-7H2,1-4H3, InChI=1S/C13H20N4O3.2ClH/c18-13(11-4-2-1-3-5-11)14-12-10-17(15-20-12)16-6-8-19-9-7-16;;/h10-11H,1-9H2;2*1H, InChI=1S/C30H56O6/c1-21(16-28(4,5)6)13-25(31)34-19-24(36-27(33)15-23(3)18-30(10,11)12)20-35-26(32)14-22(2)17-29(7,8)9/h21-24H,13-20H2,1-12H3
IUPAC name 1-(1,3,3-trimethylbutyl)-3-oxabicyclo[3.1.0]hexan-2-one, 1-(4,4-dimethylpentan-2-yl)-3-oxabicyclo[3.1.0]hexan-2-one, 2,3-bis(3,5,5-trimethylhexanoyloxy)propyl 3,5,5-trimethylhexanoate, 3,5,5-trimethylhexanoic acid 2,3-bis(3,5,5-trimethyl-1-oxohexoxy)propyl ester, 3,5,5-trimethylhexanoic acid 2,3-bis(3,5,5-trimethylhexanoyloxy)propyl ester, N-(3-morpholin-4-yl-1,2,3-oxadiazol-3-ium-5-yl)cyclohexanecarboxamide;chloride;hydrochloride, N-(3-morpholin-4-yloxadiazol-3-ium-5-yl)cyclohexanecarboxamide;chloride;hydrochloride, N-(3-morpholinooxadiazol-3-ium-5-yl)cyclohexanecarboxamide;chloride;hydrochloride, N-[3-(4-morpholinyl)-5-oxadiazol-3-iumyl]cyclohexanecarboxamide;chloride;hydrochloride
Molecular formula C12H20O2, C13H22Cl2N4O3, C30H56O6
SMILES C1CCC(CC1)C(=O)NC2=C[N+](=NO2)N3CCOCC3.Cl.[Cl-], CC(CC(=O)OCC(COC(=O)CC(C)CC(C)(C)C)OC(=O)CC(C)CC(C)(C)C)CC(C)(C)C, CC(CC(C)(C)C)C12CC1COC2=O

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
2dbf3cd6… EF 3.1 kg Environmental → Air → Aircraft cruise height 2 2
3f5dd3ea… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 2
b70020bf… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 2 2
6765a344… EF 3.1 kg Environmental → Air → High stack, >150 meters 2 2
681104b5… EF 3.1 kg Environmental → Air → Unknown 2 2
fcf42ffc… EF 3.1 kg Environmental → Air → Unknown 2 2
6d0f895e… EF 3.1 kg Environmental → Ground → Agricultural 2 2
2ce99ad3… EF 3.1 kg Environmental → Ground → Unknown 2 2
b3981100… EF 3.1 kg Environmental → Water → Ocean 2 2
f19183b7… EF 3.1 kg Environmental → Water → Surface water 2 2
07f67f26… EF 3.1 kg Environmental → Water → Unknown 2 2

Changes Applied

Elementary Flow Field Old Value New Value Comment
07f67f26… altLabel [{"@value":"Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:56554-53-1","https://commonchemistry.cas.org/detail?cas_rn=56554-53-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; cas=56554-53-1; added Common Chemistry CAS names as altLabel: Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester; object_uuid=fo-ff8f0672c3a64108
07f67f26… cas_match_labels {"56554-53-1":"exactMatch"} group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'56554-53-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ff8f0672c3a64108: {'56554-53-1': 'exactMatch'}
2ce99ad3… altLabel [{"@value":"Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:56554-53-1","https://commonchemistry.cas.org/detail?cas_rn=56554-53-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; cas=56554-53-1; added Common Chemistry CAS names as altLabel: Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester; object_uuid=fo-ff8f0672c3a64108
2ce99ad3… cas_match_labels {"56554-53-1":"exactMatch"} group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'56554-53-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ff8f0672c3a64108: {'56554-53-1': 'exactMatch'}
2dbf3cd6… altLabel [{"@value":"Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:56554-53-1","https://commonchemistry.cas.org/detail?cas_rn=56554-53-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; cas=56554-53-1; added Common Chemistry CAS names as altLabel: Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester; object_uuid=fo-ff8f0672c3a64108
2dbf3cd6… cas_match_labels {"56554-53-1":"exactMatch"} group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'56554-53-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ff8f0672c3a64108: {'56554-53-1': 'exactMatch'}
3f5dd3ea… altLabel [{"@value":"Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:56554-53-1","https://commonchemistry.cas.org/detail?cas_rn=56554-53-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; cas=56554-53-1; added Common Chemistry CAS names as altLabel: Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester; object_uuid=fo-ff8f0672c3a64108
3f5dd3ea… cas_match_labels {"56554-53-1":"exactMatch"} group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'56554-53-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ff8f0672c3a64108: {'56554-53-1': 'exactMatch'}
4ce99618… altLabel [{"@value":"Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:56554-53-1","https://commonchemistry.cas.org/detail?cas_rn=56554-53-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; cas=56554-53-1; added Common Chemistry CAS names as altLabel: Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester; object_uuid=fo-ff8f0672c3a64108
4ce99618… cas_match_labels {"56554-53-1":"exactMatch"} group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'56554-53-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ff8f0672c3a64108: {'56554-53-1': 'exactMatch'}
6765a344… altLabel [{"@value":"Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:56554-53-1","https://commonchemistry.cas.org/detail?cas_rn=56554-53-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; cas=56554-53-1; added Common Chemistry CAS names as altLabel: Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester; object_uuid=fo-ff8f0672c3a64108
6765a344… cas_match_labels {"56554-53-1":"exactMatch"} group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'56554-53-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ff8f0672c3a64108: {'56554-53-1': 'exactMatch'}
681104b5… altLabel [{"@value":"Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:56554-53-1","https://commonchemistry.cas.org/detail?cas_rn=56554-53-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; cas=56554-53-1; added Common Chemistry CAS names as altLabel: Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester; object_uuid=fo-ff8f0672c3a64108
681104b5… cas_match_labels {"56554-53-1":"exactMatch"} group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'56554-53-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ff8f0672c3a64108: {'56554-53-1': 'exactMatch'}
6d0f895e… altLabel [{"@value":"Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:56554-53-1","https://commonchemistry.cas.org/detail?cas_rn=56554-53-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; cas=56554-53-1; added Common Chemistry CAS names as altLabel: Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester; object_uuid=fo-ff8f0672c3a64108
6d0f895e… cas_match_labels {"56554-53-1":"exactMatch"} group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'56554-53-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ff8f0672c3a64108: {'56554-53-1': 'exactMatch'}
a11c06ae… altLabel [{"@value":"Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:56554-53-1","https://commonchemistry.cas.org/detail?cas_rn=56554-53-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; cas=56554-53-1; added Common Chemistry CAS names as altLabel: Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester; object_uuid=fo-ff8f0672c3a64108
a11c06ae… cas_match_labels {"56554-53-1":"exactMatch"} group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'56554-53-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ff8f0672c3a64108: {'56554-53-1': 'exactMatch'}
b3981100… altLabel [{"@value":"Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:56554-53-1","https://commonchemistry.cas.org/detail?cas_rn=56554-53-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; cas=56554-53-1; added Common Chemistry CAS names as altLabel: Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester; object_uuid=fo-ff8f0672c3a64108
b3981100… cas_match_labels {"56554-53-1":"exactMatch"} group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'56554-53-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ff8f0672c3a64108: {'56554-53-1': 'exactMatch'}
b70020bf… altLabel [{"@value":"Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:56554-53-1","https://commonchemistry.cas.org/detail?cas_rn=56554-53-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; cas=56554-53-1; added Common Chemistry CAS names as altLabel: Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester; object_uuid=fo-ff8f0672c3a64108
b70020bf… cas_match_labels {"56554-53-1":"exactMatch"} group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'56554-53-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ff8f0672c3a64108: {'56554-53-1': 'exactMatch'}
f19183b7… altLabel [{"@value":"Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:56554-53-1","https://commonchemistry.cas.org/detail?cas_rn=56554-53-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; cas=56554-53-1; added Common Chemistry CAS names as altLabel: Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester; object_uuid=fo-ff8f0672c3a64108
f19183b7… cas_match_labels {"56554-53-1":"exactMatch"} group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'56554-53-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ff8f0672c3a64108: {'56554-53-1': 'exactMatch'}
fcf42ffc… altLabel [{"@value":"Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:56554-53-1","https://commonchemistry.cas.org/detail?cas_rn=56554-53-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; cas=56554-53-1; added Common Chemistry CAS names as altLabel: Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester; object_uuid=fo-ff8f0672c3a64108
fcf42ffc… cas_match_labels {"56554-53-1":"exactMatch"} group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'56554-53-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ff8f0672c3a64108: {'56554-53-1': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-ff8f0672c3a64108",
  "prefLabel": [
    {
      "@value": "Propane-1,2,3-triyl Tris(3,5,5-trimethylhexanoate)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "prefLabel"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "altLabel"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C12H20O2",
        "C13H22Cl2N4O3",
        "C30H56O6"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:92447",
          "CID:162760",
          "CID:90473575"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "FOHDPKZXJXMQGV-UHFFFAOYSA-N",
        "QNESDXMHQYMNGD-UHFFFAOYSA-N",
        "VGCRRRJKYKKCPO-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:92447",
          "CID:162760",
          "CID:90473575"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C1CCC(CC1)C(=O)NC2=C[N+](=NO2)N3CCOCC3.Cl.[Cl-]",
        "CC(CC(=O)OCC(COC(=O)CC(C)CC(C)(C)C)OC(=O)CC(C)CC(C)(C)C)CC(C)(C)C",
        "CC(CC(C)(C)C)C12CC1COC2=O"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:92447",
          "CID:162760",
          "CID:90473575"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C12H20O2/c1-8(5-11(2,3)4)12-6-9(12)7-14-10(12)13/h8-9H,5-7H2,1-4H3",
        "InChI=1S/C13H20N4O3.2ClH/c18-13(11-4-2-1-3-5-11)14-12-10-17(15-20-12)16-6-8-19-9-7-16;;/h10-11H,1-9H2;2*1H",
        "InChI=1S/C30H56O6/c1-21(16-28(4,5)6)13-25(31)34-19-24(36-27(33)15-23(3)18-30(10,11)12)20-35-26(32)14-22(2)17-29(7,8)9/h21-24H,13-20H2,1-12H3"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:92447",
          "CID:162760",
          "CID:90473575"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "1-(1,3,3-trimethylbutyl)-3-oxabicyclo[3.1.0]hexan-2-one",
        "1-(4,4-dimethylpentan-2-yl)-3-oxabicyclo[3.1.0]hexan-2-one",
        "2,3-bis(3,5,5-trimethylhexanoyloxy)propyl 3,5,5-trimethylhexanoate",
        "3,5,5-trimethylhexanoic acid 2,3-bis(3,5,5-trimethyl-1-oxohexoxy)propyl ester",
        "3,5,5-trimethylhexanoic acid 2,3-bis(3,5,5-trimethylhexanoyloxy)propyl ester",
        "N-(3-morpholin-4-yl-1,2,3-oxadiazol-3-ium-5-yl)cyclohexanecarboxamide;chloride;hydrochloride",
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