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Luteoskyrin

UUID 4c60d7ac-e509-4f89-bca1-25119bce3007
Flow Object IDfo-8b18c1c370762c8d
Source EF 3.1
Context Environmental → Air → Aircraft cruise height
CAS Numbers 21884-44-6
EC Numbers 244-631-1
prefLabel
Language Value Provenance
en Luteoskyrin
altLabel
Language Value Provenance
en (-)-Luteoskyrin
en (5a<em>R</em>,6<em>S</em>,13a<em>R</em>,14<em>S</em>,17<em>R</em>,18<em>S</em>,19<em>S</em>,20<em>R</em>)-1,4,7,9,12,15,17,20-Octahydroxy-3,11-dimethyl-5<em>H</em>,6<em>H</em>-6,13a,5a,14-[1,2,3,4]butanetetraylcycloocta[1,2-<em>b</em>:5,6-<em>b</em>′]dinaphthalene-5,8,13,16(14<em>H</em>)-tetrone
en 5<em>H</em>,6<em>H</em>-6,13a,5a,14-[1,2,3,4]Butanetetraylcycloocta[1,2-<em>b</em>:5,6-<em>b</em>′]dinaphthalene, rugulosin deriv.
en 5<em>H</em>,6<em>H</em>-6,13a,5a,14-[1,2,3,4]Butanetetraylcycloocta[1,2-<em>b</em>:5,6-<em>b</em>′]dinaphthalene-5,8,13,16(14<em>H</em>)-tetrone, 1,4,7,9,12,15,17,20-octahydroxy-3,11-dimethyl-
en 5<em>H</em>,6<em>H</em>-6,13a,5a,14-[1,2,3,4]Butanetetraylcycloocta[1,2-<em>b</em>:5,6-<em>b</em>′]dinaphthalene-5,8,13,16(14<em>H</em>)-tetrone, 1,4,7,9,12,15,17,20-octahydroxy-3,11-dimethyl-, (5a<em>R</em>,6<em>S</em>,13a<em>R</em>,14<em>S</em>,17<em>R</em>,18<em>S</em>,19<em>S</em>,20<em>R</em>)-
en 5<em>H</em>,6<em>H</em>-6,13a,5a,14-[1,2,3,4]Butanetetraylcycloocta[1,2-<em>b</em>:5,6-<em>b</em>′]dinaphthalene-5,8,13,16(14<em>H</em>)-tetrone, 1,4,7,9,12,15,17,20-octahydroxy-3,11-dimethyl-, [5a<em>R</em>-(5a<em>R</em>*,6<em>S</em>*,13a<em>R</em>*,14<em>S</em>*,17<em>R</em>*,18<em>S</em>*,19<em>S</em>*,20<em>R</em>*)]-
en Luteoskyrin, (-)-
en Rugulosin, 8,8′-dihydroxy-, (1<em>S</em>,1′<em>S</em>,2<em>R</em>,2′<em>R</em>,3<em>S</em>,3′<em>S</em>,9a<em>R</em>,9′a<em>R</em>)-
en Rugulosin, 8,8'-dihydroxy-, (1s,1's,2r,2'r,3s,3's,9ar,9'ar)-
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey FAZDYVMEXQHRLI-UHFFFAOYSA-N, KXNUPFFSGSRABD-UHFFFAOYSA-N
InChI InChI=1S/C30H22O12/c1-5-3-7(31)9-11(19(5)33)27(41)29-13-14-24(38)17(29)26(40)16-22(36)10-8(32)4-6(2)20(34)12(10)28(42)30(14,16)18(23(13)37)25(39)15(29)21(9)35/h3-4,13-14,17-18,23-24,31-34,37-40H,1-2H3, InChI=1S/C30H22O12/c1-5-3-7(31)9-11(19(5)33)27(41)29-13-14-24(38)17(29)26(40)16-22(36)10-8(32)4-6(2)20(34)12(10)28(42)30(14,16)18(23(13)37)25(39)15(29)21(9)35/h3-4,13-14,17-18,23-24,31-38H,1-2H3
IUPAC name 5,8,10,14,20,23,25,28-octahydroxy-6,21-dimethyl-octacyclo[14.11.1.02,11.02,15.04,9.013,17.017,26.019,24]octacosa-4,6,8,10,19,21,23,25-octaene-3,12,18,27-diquinone, 5,8,10,14,20,23,25,28-octahydroxy-6,21-dimethyl-octacyclo[14.11.1.02,11.02,15.04,9.013,17.017,26.019,24]octacosa-4,6,8,10,19,21,23,25-octaene-3,12,18,27-tetrone, 5,8,10,14,20,23,25,28-octahydroxy-6,21-dimethyloctacyclo[14.11.1.02,11.02,15.04,9.013,17.017,26.019,24]octacosa-4,6,8,10,19,21,23,25-octaene-3,12,18,27-tetrone, 6,21-dimethyl-5,8,10,14,20,23,25,28-octakis(oxidanyl)octacyclo[14.11.1.02,11.02,15.04,9.013,17.017,26.019,24]octacosa-4,6,8,10,19,21,23,25-octaene-3,12,18,27-tetrone
Molecular formula C30H22O12
Molecular mass 574.494
Monoisotopic mass 574.11113
SMILES CC1=CC(=C2C(=C1O)C(=O)C34C5C6C(C3C(=O)C7=C(C8=C(C=C(C(=C8C(=O)C67C(C5O)C(=O)C4=C2O)O)C)O)O)O)O, Cc1cc(O)c2c(c1O)C(=O)C13C(=C(O)C4C(O)C1C1C(O)C3C(O)=C3C(=O)c5c(O)cc(C)c(O)c5C(=O)C341)C2=O

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 4c60d7ac-e509-4f89-bca1-25119bce3007 rugulosin, 8,8'-dihydroxy-, (1s,1's,2r,2'r,3s,3's,9ar,9'ar)-

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 rugulosin, 8,8'-dihydroxy-, (1s,1's,2r,2'r,3s,3's,9ar,9'ar)- Emissions/Emissions to air/Emissions to lower stratosphere and upper troposphere kg exactMatch

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 consensus_match group_key=rugulosin,8,8'-dihydroxy-,(1s,1's,2r,2'r,3s,3's,9ar,9'ar)-||dimension=Environmental > media=Water > water_body=Unknown; cas=21884-44-6; added Common Chemistry CAS names as altLabel: (-)-Luteoskyrin, (5a<em>R</em>,6<em>S</em>,13a<em>R</em>,14<em>S</em>,17<em>R</em>,18<em>S</em>,19<em>S</em>,20<em>R</em>)-1,4,7,9,12,15,17,20-Octahydroxy-3,11-dimethyl-5<em>H</em>,6<em>H</em>-6,13a,5a,14-[1,2,3,4]butanetetraylcycloocta[1,2-<em>b</em>:5,6-<em>b</em>′]dinaphthalene-5,8,13,16(14<em>H</em>)-tetrone, 5<em>H</em>,6<em>H</em>-6,13a,5a,14-[1,2,3,4]Butanetetraylcycloocta[1,2-<em>b</em>:5,6-<em>b</em>′]dinaphthalene, rugulosin deriv., 5<em>H</em>,6<em>H</em>-6,13a,5a,14-[1,2,3,4]Butanetetraylcycloocta[1,2-<em>b</em>:5,6-<em>b</em>′]dinaphthalene-5,8,13,16(14<em>H</em>)-tetrone, 1,4,7,9,12,15,17,20-octahydroxy-3,11-dimethyl-, 5<em>H</em>,6<em>H</em>-6,13a,5a,14-[1,2,3,4]Butanetetraylcycloocta[1,2-<em>b</em>:5,6-<em>b</em>′]dinaphthalene-5,8,13,16(14<em>H</em>)-tetrone, 1,4,7,9,12,15,17,20-octahydroxy-3,11-dimethyl-, (5a<em>R</em>,6<em>S</em>,13a<em>R</em>,14<em>S</em>,17<em>R</em>,18<em>S</em>,19<em>S</em>,20<em>R</em>)-, 5<em>H</em>,6<em>H</em>-6,13a,5a,14-[1,2,3,4]Butanetetraylcycloocta[1,2-<em>b</em>:5,6-<em>b</em>′]dinaphthalene-5,8,13,16(14<em>H</em>)-tetrone, 1,4,7,9,12,15,17,20-octahydroxy-3,11-dimethyl-, [5a<em>R</em>-(5a<em>R</em>*,6<em>S</em>*,13a<em>R</em>*,14<em>S</em>*,17<em>R</em>*,18<em>S</em>*,19<em>S</em>*,20<em>R</em>*)]-, Luteoskyrin, Luteoskyrin, (-)-, Rugulosin, 8,8′-dihydroxy-, (1<em>S</em>,1′<em>S</em>,2<em>R</em>,2′<em>R</em>,3<em>S</em>,3′<em>S</em>,9a<em>R</em>,9′a<em>R</em>)-; object_uuid=fo-8b18c1c370762c8d
cas_match_labels 1 consensus_match group_key=rugulosin,8,8'-dihydroxy-,(1s,1's,2r,2'r,3s,3's,9ar,9'ar)-||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'21884-44-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8b18c1c370762c8d: {'21884-44-6': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataAircraft cruise height

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '(-)-Luteoskyrin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:21884-44-6', 'https://commonchemistry.cas.org/detail?cas_rn=21884-44-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(5a<em>R</em>,6<em>S</em>,13a<em>R</em>,14<em>S</em>,17<em>R</em>,18<em>S</em>,19<em>S</em>,20<em>R</em>)-1,4,7,9,12,15,17,20-Octahydroxy-3,11-dimethyl-5<em>H</em>,6<em>H</em>-6,13a,5a,14-[1,2,3,4]butanetetraylcycloocta[1,2-<em>b</em>:5,6-<em>b</em>′]dinaphthalene-5,8,13,16(14<em>H</em>)-tetrone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:21884-44-6', 'https://commonchemistry.cas.org/detail?cas_rn=21884-44-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '5<em>H</em>,6<em>H</em>-6,13a,5a,14-[1,2,3,4]Butanetetraylcycloocta[1,2-<em>b</em>:5,6-<em>b</em>′]dinaphthalene, rugulosin deriv.', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:21884-44-6', 'https://commonchemistry.cas.org/detail?cas_rn=21884-44-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '5<em>H</em>,6<em>H</em>-6,13a,5a,14-[1,2,3,4]Butanetetraylcycloocta[1,2-<em>b</em>:5,6-<em>b</em>′]dinaphthalene-5,8,13,16(14<em>H</em>)-tetrone, 1,4,7,9,12,15,17,20-octahydroxy-3,11-dimethyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:21884-44-6', 'https://commonchemistry.cas.org/detail?cas_rn=21884-44-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '5<em>H</em>,6<em>H</em>-6,13a,5a,14-[1,2,3,4]Butanetetraylcycloocta[1,2-<em>b</em>:5,6-<em>b</em>′]dinaphthalene-5,8,13,16(14<em>H</em>)-tetrone, 1,4,7,9,12,15,17,20-octahydroxy-3,11-dimethyl-, (5a<em>R</em>,6<em>S</em>,13a<em>R</em>,14<em>S</em>,17<em>R</em>,18<em>S</em>,19<em>S</em>,20<em>R</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:21884-44-6', 'https://commonchemistry.cas.org/detail?cas_rn=21884-44-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '5<em>H</em>,6<em>H</em>-6,13a,5a,14-[1,2,3,4]Butanetetraylcycloocta[1,2-<em>b</em>:5,6-<em>b</em>′]dinaphthalene-5,8,13,16(14<em>H</em>)-tetrone, 1,4,7,9,12,15,17,20-octahydroxy-3,11-dimethyl-, [5a<em>R</em>-(5a<em>R</em>*,6<em>S</em>*,13a<em>R</em>*,14<em>S</em>*,17<em>R</em>*,18<em>S</em>*,19<em>S</em>*,20<em>R</em>*)]-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:21884-44-6', 'https://commonchemistry.cas.org/detail?cas_rn=21884-44-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Luteoskyrin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:21884-44-6', 'https://commonchemistry.cas.org/detail?cas_rn=21884-44-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Luteoskyrin, (-)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:21884-44-6', 'https://commonchemistry.cas.org/detail?cas_rn=21884-44-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Rugulosin, 8,8′-dihydroxy-, (1<em>S</em>,1′<em>S</em>,2<em>R</em>,2′<em>R</em>,3<em>S</em>,3′<em>S</em>,9a<em>R</em>,9′a<em>R</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:21884-44-6', 'https://commonchemistry.cas.org/detail?cas_rn=21884-44-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=rugulosin,8,8'-dihydroxy-,(1s,1's,2r,2'r,3s,3's,9ar,9'ar)-||dimension=Environmental > media=Water > water_body=Unknown; cas=21884-44-6; added Common Chemistry CAS names as altLabel: (-)-Luteoskyrin, (5a<em>R</em>,6<em>S</em>,13a<em>R</em>,14<em>S</em>,17<em>R</em>,18<em>S</em>,19<em>S</em>,20<em>R</em>)-1,4,7,9,12,15,17,20-Octahydroxy-3,11-dimethyl-5<em>H</em>,6<em>H</em>-6,13a,5a,14-[1,2,3,4]butanetetraylcycloocta[1,2-<em>b</em>:5,6-<em>b</em>′]dinaphthalene-5,8,13,16(14<em>H</em>)-tetrone, 5<em>H</em>,6<em>H</em>-6,13a,5a,14-[1,2,3,4]Butanetetraylcycloocta[1,2-<em>b</em>:5,6-<em>b</em>′]dinaphthalene, rugulosin deriv., 5<em>H</em>,6<em>H</em>-6,13a,5a,14-[1,2,3,4]Butanetetraylcycloocta[1,2-<em>b</em>:5,6-<em>b</em>′]dinaphthalene-5,8,13,16(14<em>H</em>)-tetrone, 1,4,7,9,12,15,17,20-octahydroxy-3,11-dimethyl-, 5<em>H</em>,6<em>H</em>-6,13a,5a,14-[1,2,3,4]Butanetetraylcycloocta[1,2-<em>b</em>:5,6-<em>b</em>′]dinaphthalene-5,8,13,16(14<em>H</em>)-tetrone, 1,4,7,9,12,15,17,20-octahydroxy-3,11-dimethyl-, (5a<em>R</em>,6<em>S</em>,13a<em>R</em>,14<em>S</em>,17<em>R</em>,18<em>S</em>,19<em>S</em>,20<em>R</em>)-, 5<em>H</em>,6<em>H</em>-6,13a,5a,14-[1,2,3,4]Butanetetraylcycloocta[1,2-<em>b</em>:5,6-<em>b</em>′]dinaphthalene-5,8,13,16(14<em>H</em>)-tetrone, 1,4,7,9,12,15,17,20-octahydroxy-3,11-dimethyl-, [5a<em>R</em>-(5a<em>R</em>*,6<em>S</em>*,13a<em>R</em>*,14<em>S</em>*,17<em>R</em>*,18<em>S</em>*,19<em>S</em>*,20<em>R</em>*)]-, Luteoskyrin, Luteoskyrin, (-)-, Rugulosin, 8,8′-dihydroxy-, (1<em>S</em>,1′<em>S</em>,2<em>R</em>,2′<em>R</em>,3<em>S</em>,3′<em>S</em>,9a<em>R</em>,9′a<em>R</em>)-; object_uuid=fo-8b18c1c370762c8d
cas_match_labels None {'21884-44-6': 'exactMatch'} group_key=rugulosin,8,8'-dihydroxy-,(1s,1's,2r,2'r,3s,3's,9ar,9'ar)-||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'21884-44-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8b18c1c370762c8d: {'21884-44-6': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "4c60d7ac-e509-4f89-bca1-25119bce3007",
  "name": null,
  "cas_numbers": [
    "21884-44-6"
  ],
  "ec_numbers": [
    "244-631-1"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "Aircraft cruise height"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
    {
      "method_uuid": "2299222a-bbd8-474f-9d4f-4dd1f18aea7c",
      "name": "Human toxicity, cancer",
      "methodology": "Environmental Footprint",
      "impact_category": "Cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh) ",
      "characterization_factor": 0.000019267
    },
    {
      "method_uuid": "503699e0-eca9-4089-8bf8-e0f49c93e578",
      "name": "Human toxicity, cancer_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh) ",
      "characterization_factor": 0.000019267
    }
  ],
  "source": "EF 3.1",
  "identifier": "4c60d7ac-e509-4f89-bca1-25119bce3007",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "4c60d7ac-e509-4f89-bca1-25119bce3007",
      "source_flow_name": "rugulosin, 8,8'-dihydroxy-, (1s,1's,2r,2'r,3s,3's,9ar,9'ar)-",
      "source_metadata": {
        "input_file": "/home/cmutel/.local/share/consensus-flow-list/ef-31-flows.json",
        "input_dataset": "EF 3.1",
        "original_context": [
          "Emissions",
          "Emissions to air",
          "Emissions to lower stratosphere and upper troposphere"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Luteoskyrin",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "pubchem_readable_name",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:21884-44-6",
          "CID:30840"
        ],
        "prov:wasDerivedFrom": "pubchem record title"
      }
    }
  ],
  "_sources": {
    "prefLabel": "pubchem_readable_name",
    "name": "bootstrap_labels",
    "synonyms": "bootstrap_labels",
    "context": "default_context_mapping",
    "context_iri": "default_context_mapping",
    "unit_iri": "unit_normalization",
    "properties": "enrich_references",
    "skos:definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "pubchem_readable_name",
    "cas_match_labels": "consensus_match"
  },
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-aicrhe",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C30H22O12"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "http://purl.obolibrary.org/obo/CHEBI_80711"
          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
        },
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:30840"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CC1=CC(=C2C(=C1O)C(=O)C34C5C6C(C3C(=O)C7=C(C8=C(C=C(C(=C8C(=O)C67C(C5O)C(=O)C4=C2O)O)C)O)O)O)O",
        "Cc1cc(O)c2c(c1O)C(=O)C13C(=C(O)C4C(O)C1C1C(O)C3C(O)=C3C(=O)c5c(O)cc(C)c(O)c5C(=O)C341)C2=O"
      ],
      "rdfs:label": "SMILES",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
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