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Phorbol

UUID 4d9a8790-3ddd-11dd-9847-0050c2490048
Deprecated yes
Replaced By 4d9a8790-3ddd-11dd-9846-0050c2490048
Flow Object IDfo-dc86f49fb3de041e
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 17673-25-5
prefLabel
Language Value Provenance
en Phorbol
altLabel ⓘ
Language Value Provenance
en (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-5H-cyclopropa[3,4]benzo[1,2-e]azulen-5-one
en 4,9,12beta,13,20-pentahydroxy-1,6-tigliadien-3-on
en 4,9,12beta,13,20-pentahydroxytiglia-1,6-dien-3-one
en (+)-Phorbol
en (1a<em>R</em>,1b<em>S</em>,4a<em>R</em>,7a<em>S</em>,7b<em>S</em>,8<em>R</em>,9<em>R</em>,9a<em>S</em>)-1,1a,1b,4,4a,7a,7b,8,9,9a-Decahydro-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5<em>H</em>-cyclopropa[3,4]benz[1,2-<em>e</em>]azulen-5-one
en 4β-Phorbol
en 5<em>H</em>-Cyclopropa[3,4]benz[1,2-<em>e</em>]azulen-5-one, 1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-, (1a<em>R</em>,1b<em>S</em>,4a<em>R</em>,7a<em>S</em>,7b<em>S</em>,8<em>R</em>,9<em>R</em>,9a<em>S</em>)-
en 5<em>H</em>-Cyclopropa[3,4]benz[1,2-<em>e</em>]azulen-5-one, 1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-, [1a<em>R</em>-(1aα,1bβ,4aβ,7aα,7bα,8α,9β,9aα)]-
en 5<em>H</em>-Cyclopropa[3,4]benz[1,2-<em>e</em>]azulen-5-one, 1,1aα,1bβ,4,4a,7aα,7b,8,9,9a-decahydro-4aβ,7bα,9β,9aα-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8α-tetramethyl-, (+)-
en NSC 154778
Definitions
Language Value Provenance
en A diterpenoid with the structure of tigliane hydroxylated at C-4, -9, -12(β), -13 and -20, with an oxo group at C-3 and unsaturation at the 1- and 6-positions.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey QGVLYPPODPLXMB-UBTYZVCOSA-N
InChI InChI=1S/C20H28O6/c1-9-5-13-18(24,15(9)22)7-11(8-21)6-12-14-17(3,4)20(14,26)16(23)10(2)19(12,13)25/h5-6,10,12-14,16,21,23-26H,7-8H2,1-4H3/t10-,12+,13-,14-,16-,18-,19-,20-/m1/s1
IUPAC name (1S,2S,6R,10S,11R,13S,14R,15R)-1,6,13,14-tetrahydroxy-4,12,12,15-tetramethyl-8-methylol-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-5-one, (1S,2S,6R,10S,11R,13S,14R,15R)-1,6,13,14-tetrahydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienone, (1S,2S,6R,10S,11R,13S,14R,15R)-1,6,13,14-tetrahydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-5-one, (1S,2S,6R,10S,11R,13S,14R,15R)-1,6,13,14-tetrahydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyltetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-5-one, (1S,2S,6R,10S,11R,13S,14R,15R)-8-(hydroxymethyl)-4,12,12,15-tetramethyl-1,6,13,14-tetrakis(oxidanyl)tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-5-one
Molecular formula C20H28O6
Molecular mass 364.438
Monoisotopic mass 364.18859
SMILES CC1C(C2(C(C2(C)C)C3C1(C4C=C(C(=O)C4(CC(=C3)CO)O)C)O)O)O, C[C@@H]1[C@H]([C@@]2([C@@H](C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@]4(CC(=C3)CO)O)C)O)O)O, [H][C@@]12C=C(C)C(=O)[C@@]1(O)CC(CO)=C[C@]1([H])[C@]2(O)[C@H](C)[C@@H](O)[C@@]2(O)C(C)(C)[C@@]12[H]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 4d9a8790-3ddd-11dd-9847-0050c2490048 phorbol

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=phorbol||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=17673-25-5; added Common Chemistry CAS names as altLabel: (+)-Phorbol, (1a<em>R</em>,1b<em>S</em>,4a<em>R</em>,7a<em>S</em>,7b<em>S</em>,8<em>R</em>,9<em>R</em>,9a<em>S</em>)-1,1a,1b,4,4a,7a,7b,8,9,9a-Decahydro-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5<em>H</em>-cyclopropa[3,4]benz[1,2-<em>e</em>]azulen-5-one, 4β-Phorbol, 5<em>H</em>-Cyclopropa[3,4]benz[1,2-<em>e</em>]azulen-5-one, 1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-, (1a<em>R</em>,1b<em>S</em>,4a<em>R</em>,7a<em>S</em>,7b<em>S</em>,8<em>R</em>,9<em>R</em>,9a<em>S</em>)-, 5<em>H</em>-Cyclopropa[3,4]benz[1,2-<em>e</em>]azulen-5-one, 1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-, [1a<em>R</em>-(1aα,1bβ,4aβ,7aα,7bα,8α,9β,9aα)]-, 5<em>H</em>-Cyclopropa[3,4]benz[1,2-<em>e</em>]azulen-5-one, 1,1aα,1bβ,4,4a,7aα,7b,8,9,9a-decahydro-4aβ,7bα,9β,9aα-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8α-tetramethyl-, (+)-, NSC 154778; object_uuid=fo-dc86f49fb3de041e
cas_match_labels 1 — consensus_match group_key=phorbol||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'pubchem']; cas_sources={'17673-25-5': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-dc86f49fb3de041e: {'17673-25-5': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-5H-cyclopropa[3,4]benzo[1,2-e]azulen-5-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-5H-cyclopropa[3,4]benzo[1,2-e]azulen-5-one', 'http://purl.obolibrary.org/obo/CHEBI_8116', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4,9,12beta,13,20-pentahydroxy-1,6-tigliadien-3-on', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4,9,12beta,13,20-pentahydroxy-1,6-tigliadien-3-on', 'http://purl.obolibrary.org/obo/CHEBI_8116', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4,9,12beta,13,20-pentahydroxytiglia-1,6-dien-3-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4,9,12beta,13,20-pentahydroxytiglia-1,6-dien-3-one', 'http://purl.obolibrary.org/obo/CHEBI_8116', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-5H-cyclopropa[3,4]benzo[1,2-e]azulen-5-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-5H-cyclopropa[3,4]benzo[1,2-e]azulen-5-one', 'http://purl.obolibrary.org/obo/CHEBI_8116', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4,9,12beta,13,20-pentahydroxy-1,6-tigliadien-3-on', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4,9,12beta,13,20-pentahydroxy-1,6-tigliadien-3-on', 'http://purl.obolibrary.org/obo/CHEBI_8116', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4,9,12beta,13,20-pentahydroxytiglia-1,6-dien-3-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4,9,12beta,13,20-pentahydroxytiglia-1,6-dien-3-one', 'http://purl.obolibrary.org/obo/CHEBI_8116', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(+)-Phorbol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:17673-25-5', 'https://commonchemistry.cas.org/detail?cas_rn=17673-25-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(1a<em>R</em>,1b<em>S</em>,4a<em>R</em>,7a<em>S</em>,7b<em>S</em>,8<em>R</em>,9<em>R</em>,9a<em>S</em>)-1,1a,1b,4,4a,7a,7b,8,9,9a-Decahydro-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5<em>H</em>-cyclopropa[3,4]benz[1,2-<em>e</em>]azulen-5-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:17673-25-5', 'https://commonchemistry.cas.org/detail?cas_rn=17673-25-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4β-Phorbol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:17673-25-5', 'https://commonchemistry.cas.org/detail?cas_rn=17673-25-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '5<em>H</em>-Cyclopropa[3,4]benz[1,2-<em>e</em>]azulen-5-one, 1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-, (1a<em>R</em>,1b<em>S</em>,4a<em>R</em>,7a<em>S</em>,7b<em>S</em>,8<em>R</em>,9<em>R</em>,9a<em>S</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:17673-25-5', 'https://commonchemistry.cas.org/detail?cas_rn=17673-25-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '5<em>H</em>-Cyclopropa[3,4]benz[1,2-<em>e</em>]azulen-5-one, 1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-, [1a<em>R</em>-(1aα,1bβ,4aβ,7aα,7bα,8α,9β,9aα)]-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:17673-25-5', 'https://commonchemistry.cas.org/detail?cas_rn=17673-25-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '5<em>H</em>-Cyclopropa[3,4]benz[1,2-<em>e</em>]azulen-5-one, 1,1aα,1bβ,4,4a,7aα,7b,8,9,9a-decahydro-4aβ,7bα,9β,9aα-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8α-tetramethyl-, (+)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:17673-25-5', 'https://commonchemistry.cas.org/detail?cas_rn=17673-25-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 154778', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:17673-25-5', 'https://commonchemistry.cas.org/detail?cas_rn=17673-25-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=phorbol||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=17673-25-5; added Common Chemistry CAS names as altLabel: (+)-Phorbol, (1a<em>R</em>,1b<em>S</em>,4a<em>R</em>,7a<em>S</em>,7b<em>S</em>,8<em>R</em>,9<em>R</em>,9a<em>S</em>)-1,1a,1b,4,4a,7a,7b,8,9,9a-Decahydro-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5<em>H</em>-cyclopropa[3,4]benz[1,2-<em>e</em>]azulen-5-one, 4β-Phorbol, 5<em>H</em>-Cyclopropa[3,4]benz[1,2-<em>e</em>]azulen-5-one, 1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-, (1a<em>R</em>,1b<em>S</em>,4a<em>R</em>,7a<em>S</em>,7b<em>S</em>,8<em>R</em>,9<em>R</em>,9a<em>S</em>)-, 5<em>H</em>-Cyclopropa[3,4]benz[1,2-<em>e</em>]azulen-5-one, 1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-, [1a<em>R</em>-(1aα,1bβ,4aβ,7aα,7bα,8α,9β,9aα)]-, 5<em>H</em>-Cyclopropa[3,4]benz[1,2-<em>e</em>]azulen-5-one, 1,1aα,1bβ,4,4a,7aα,7b,8,9,9a-decahydro-4aβ,7bα,9β,9aα-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8α-tetramethyl-, (+)-, NSC 154778; object_uuid=fo-dc86f49fb3de041e
cas_match_labels None {'17673-25-5': 'exactMatch'} group_key=phorbol||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'pubchem']; cas_sources={'17673-25-5': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-dc86f49fb3de041e: {'17673-25-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "4d9a8790-3ddd-11dd-9847-0050c2490048",
  "name": null,
  "cas_numbers": [
    "17673-25-5"
  ],
  "ec_numbers": [],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Unknown"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [],
  "source": "EF 3.1",
  "identifier": "4d9a8790-3ddd-11dd-9847-0050c2490048",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "4d9a8790-3ddd-11dd-9847-0050c2490048",
      "source_flow_name": "phorbol",
      "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 water",
          "Emissions to water, unspecified"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Phorbol",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "_sources": {
    "prefLabel": "normalize_name_case",
    "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": "consensus_match",
    "cas_match_labels": "consensus_match"
  },
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-unkn",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C20H28O6"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:442070"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CC1C(C2(C(C2(C)C)C3C1(C4C=C(C(=O)C4(CC(=C3)CO)O)C)O)O)O",
        "C[C@@H]1[C@H]([C@@]2([C@@H](C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@]4(CC(=C3)CO)O)C)O)O)O",
        "[H][C@@]12C=C(C)C(=O)[C@@]1(O)CC(CO)=C[C@]1([H])[C@]2(O)[C@H](C)[C@@H](O)[C@@]2(O)C(C)(C)[C@@]12[H]"
      ],
      "rdfs:label": "SMILES",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "http://purl.obolibrary.org/obo/CHEBI_8116"
          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.smiles_string"
        },
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:442070"
          ],
          "prov:wasDerivedFrom": "pubchem.props.SMILES"
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C20H28O6/c1-9-5-13-18(24,15(9)22)7-11(8-21)6-12-14-17(3,4)20(14,26)16(23)10(2)19(12,13)25/h5-6,10,12-14,16,21,23-26H,7-8H2,1-4H3/t10-,12+,13-,14-,16-,18-,19-,20-/m1/s1"
      ],
      "rdfs:label": "InChI",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "http://purl.obolibrary.org/obo/CHEBI_8116"
          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.inchi_string"
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