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3a,4,5,6,7,7a-hexahydro-1h-4,7-methanoinden-6-yl Acetate

UUID 18039f62-74f5-4241-97c4-a9e19a866b6e
Flow Object IDfo-da8c2c7f1ac3ada8
Source EF 3.1
Context Environmental → Air → Unknown
CAS Numbers 5413-60-5
EC Numbers 226-501-6
prefLabel
Language Value Provenance
en 3a,4,5,6,7,7a-hexahydro-1h-4,7-methanoinden-6-yl Acetate
altLabel
Language Value Provenance
en 3a,4,5,6,7,7a-Hexahydro-1<em>H</em>-4,7-methanoinden-6-yl acetate
en 4,7-Methano-1<em>H</em>-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-, 6-acetate
en 4,7-Methano-1<em>H</em>-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-, acetate
en 4,7-Methano-3a,4,5,6,7,7a-hexahydroinden-6-yl acetate
en 4,7-Methanoinden-6-ol, 3a,4,5,6,7,7a-hexahydro-, acetate
en 8-Acetoxytricyclo[5.2.1.0<sup>2,6</sup>]dec-3-ene
en Greenyl acetate
en Herbaflorat
en Jasmacyclene
en NSC 6598
en Verdyl acetate
References
Shared Properties
Predicate Value
InChIKey DAZCQLQQCSUAHO-ACPDLGFYSA-N, PBUGLFUDRMHMKD-UHFFFAOYSA-N, RAVVDTHJQRTLQN-UHFFFAOYSA-N, RGVQNSFGUOIKFF-FTLHOPIBSA-N, RGVQNSFGUOIKFF-RFAQPDLFSA-N, RGVQNSFGUOIKFF-UHFFFAOYSA-N
InChI InChI=1S/C10H9N3O3/c1-6(14)13-8-5-3-2-4-7(8)9(11-15)10(13)12-16/h2-5,11,15H,1H3, InChI=1S/C12H16O2/c1-7(13)14-12-6-8-5-11(12)10-4-2-3-9(8)10/h2-3,8-12H,4-6H2,1H3, InChI=1S/C12H16O2/c1-7(13)14-12-6-8-5-11(12)10-4-2-3-9(8)10/h2-3,8-12H,4-6H2,1H3/t8-,9?,10?,11-,12+/m0/s1, InChI=1S/C12H16O2/c1-7(13)14-12-6-8-5-11(12)10-4-2-3-9(8)10/h2-3,8-12H,4-6H2,1H3/t8-,9?,10?,11-,12?/m1/s1, InChI=1S/C12H16O2/c13-12(14)6-8-4-7-5-11(8)10-3-1-2-9(7)10/h1,3,7-11H,2,4-6H2,(H,13,14), InChI=1S/C32H52O2/c33-32(34-30-26-20-14-8-3-9-15-21-27-30)31(28-22-16-10-4-1-5-11-17-23-28)29-24-18-12-6-2-7-13-19-25-29/h22,24,26,31H,1-21,23,25,27H2/b28-22+,29-24+,30-26+
IUPAC name 1-[2-nitroso-3-(oxidanylamino)indol-1-yl]ethanone, 1-[3-(hydroxyamino)-2-nitroso-1-indolyl]ethanone, 1-[3-(hydroxyamino)-2-nitroso-indol-1-yl]ethanone, 1-[3-(hydroxyamino)-2-nitrosoindol-1-yl]ethanone, 2,2-bis[(1E)-1-cyclodecenyl]acetic acid [(1E)-1-cyclodecenyl] ester, 2,2-bis[(1E)-cyclodecen-1-yl]acetic acid [(1E)-cyclodecen-1-yl] ester, 2-(8-tricyclo[5.2.1.02,6]dec-4-enyl)acetic acid, 2-(8-tricyclo[5.2.1.02,6]dec-4-enyl)ethanoic acid, 8-tricyclo[5.2.1.02,6]dec-3-enyl acetate, 8-tricyclo[5.2.1.02,6]dec-3-enyl ethanoate, [(1E)-cyclodecen-1-yl] 2,2-bis[(1E)-cyclodecen-1-yl]acetate, [(1E)-cyclodecen-1-yl] 2,2-bis[(1E)-cyclodecen-1-yl]ethanoate, [(1R,7R)-8-tricyclo[5.2.1.02,6]dec-3-enyl] acetate, [(1R,7R)-8-tricyclo[5.2.1.02,6]dec-3-enyl] ethanoate, [(1S,7S,8R)-8-tricyclo[5.2.1.02,6]dec-3-enyl] acetate, [(1S,7S,8R)-8-tricyclo[5.2.1.02,6]dec-3-enyl] ethanoate, acetic acid 8-tricyclo[5.2.1.02,6]dec-3-enyl ester, acetic acid [(1R,7R)-8-tricyclo[5.2.1.02,6]dec-3-enyl] ester, acetic acid [(1S,7S,8R)-8-tricyclo[5.2.1.02,6]dec-3-enyl] ester
Molecular formula C10H9N3O3, C12H16O2, C32H52O2
SMILES C1C=CC2C1C3CC(C2C3)CC(=O)O, C1CCC/C=C(\CCCC1)/C(C(=O)O/C/2=C/CCCCCCCC2)/C/3=C/CCCCCCCC3, C1CCCCC(=CCCC1)C(C2=CCCCCCCCC2)C(=O)OC3=CCCCCCCCC3, CC(=O)N1C2=CC=CC=C2C(=C1N=O)NO, CC(=O)OC1CC2CC1C3C2C=CC3, CC(=O)OC1C[C@H]2C[C@@H]1C3C2C=CC3, CC(=O)O[C@@H]1C[C@@H]2C[C@H]1C3C2C=CC3

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 18039f62-74f5-4241-97c4-a9e19a866b6e 3a,4,5,6,7,7a-hexahydro-1h-4,7-methanoinden-6-yl acetate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 3a,4,5,6,7,7a-hexahydro-1h-4,7-methanoinden-6-yl acetate Emissions/Emissions to air/Emissions to air, unspecified 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=3a,4,5,6,7,7a-hexahydro-1h-4,7-methanoinden-6-ylacetate||dimension=Environmental > media=Air > strata=Unknown; cas=5413-60-5; added Common Chemistry CAS names as altLabel: 3a,4,5,6,7,7a-Hexahydro-1<em>H</em>-4,7-methanoinden-6-yl acetate, 4,7-Methano-1<em>H</em>-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-, 6-acetate, 4,7-Methano-1<em>H</em>-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-, acetate, 4,7-Methano-3a,4,5,6,7,7a-hexahydroinden-6-yl acetate, 4,7-Methanoinden-6-ol, 3a,4,5,6,7,7a-hexahydro-, acetate, 8-Acetoxytricyclo[5.2.1.0<sup>2,6</sup>]dec-3-ene, Greenyl acetate, Herbaflorat, Jasmacyclene, NSC 6598, Verdyl acetate; object_uuid=fo-da8c2c7f1ac3ada8
cas_match_labels 1 consensus_match group_key=3a,4,5,6,7,7a-hexahydro-1h-4,7-methanoinden-6-ylacetate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'5413-60-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-da8c2c7f1ac3ada8: {'5413-60-5': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '3a,4,5,6,7,7a-Hexahydro-1<em>H</em>-4,7-methanoinden-6-yl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5413-60-5', 'https://commonchemistry.cas.org/detail?cas_rn=5413-60-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4,7-Methano-1<em>H</em>-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-, 6-acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5413-60-5', 'https://commonchemistry.cas.org/detail?cas_rn=5413-60-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4,7-Methano-1<em>H</em>-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-, acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5413-60-5', 'https://commonchemistry.cas.org/detail?cas_rn=5413-60-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4,7-Methano-3a,4,5,6,7,7a-hexahydroinden-6-yl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5413-60-5', 'https://commonchemistry.cas.org/detail?cas_rn=5413-60-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4,7-Methanoinden-6-ol, 3a,4,5,6,7,7a-hexahydro-, acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5413-60-5', 'https://commonchemistry.cas.org/detail?cas_rn=5413-60-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '8-Acetoxytricyclo[5.2.1.0<sup>2,6</sup>]dec-3-ene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5413-60-5', 'https://commonchemistry.cas.org/detail?cas_rn=5413-60-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Greenyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5413-60-5', 'https://commonchemistry.cas.org/detail?cas_rn=5413-60-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Herbaflorat', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5413-60-5', 'https://commonchemistry.cas.org/detail?cas_rn=5413-60-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Jasmacyclene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5413-60-5', 'https://commonchemistry.cas.org/detail?cas_rn=5413-60-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 6598', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5413-60-5', 'https://commonchemistry.cas.org/detail?cas_rn=5413-60-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Verdyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5413-60-5', 'https://commonchemistry.cas.org/detail?cas_rn=5413-60-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=3a,4,5,6,7,7a-hexahydro-1h-4,7-methanoinden-6-ylacetate||dimension=Environmental > media=Air > strata=Unknown; cas=5413-60-5; added Common Chemistry CAS names as altLabel: 3a,4,5,6,7,7a-Hexahydro-1<em>H</em>-4,7-methanoinden-6-yl acetate, 4,7-Methano-1<em>H</em>-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-, 6-acetate, 4,7-Methano-1<em>H</em>-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-, acetate, 4,7-Methano-3a,4,5,6,7,7a-hexahydroinden-6-yl acetate, 4,7-Methanoinden-6-ol, 3a,4,5,6,7,7a-hexahydro-, acetate, 8-Acetoxytricyclo[5.2.1.0<sup>2,6</sup>]dec-3-ene, Greenyl acetate, Herbaflorat, Jasmacyclene, NSC 6598, Verdyl acetate; object_uuid=fo-da8c2c7f1ac3ada8
cas_match_labels None {'5413-60-5': 'exactMatch'} group_key=3a,4,5,6,7,7a-hexahydro-1h-4,7-methanoinden-6-ylacetate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'5413-60-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-da8c2c7f1ac3ada8: {'5413-60-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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        "InChI=1S/C12H16O2/c1-7(13)14-12-6-8-5-11(12)10-4-2-3-9(8)10/h2-3,8-12H,4-6H2,1H3",
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      "@value": [
        "1-[2-nitroso-3-(oxidanylamino)indol-1-yl]ethanone",
        "1-[3-(hydroxyamino)-2-nitroso-1-indolyl]ethanone",
        "1-[3-(hydroxyamino)-2-nitroso-indol-1-yl]ethanone",
        "1-[3-(hydroxyamino)-2-nitrosoindol-1-yl]ethanone",
        "2,2-bis[(1E)-1-cyclodecenyl]acetic acid [(1E)-1-cyclodecenyl] ester",
        "2,2-bis[(1E)-cyclodecen-1-yl]acetic acid [(1E)-cyclodecen-1-yl] ester",
        "2-(8-tricyclo[5.2.1.02,6]dec-4-enyl)acetic acid",
        "2-(8-tricyclo[5.2.1.02,6]dec-4-enyl)ethanoic acid",
        "8-tricyclo[5.2.1.02,6]dec-3-enyl acetate",
        "8-tricyclo[5.2.1.02,6]dec-3-enyl ethanoate",
        "[(1E)-cyclodecen-1-yl] 2,2-bis[(1E)-cyclodecen-1-yl]acetate",
        "[(1E)-cyclodecen-1-yl] 2,2-bis[(1E)-cyclodecen-1-yl]ethanoate",
        "[(1R,7R)-8-tricyclo[5.2.1.02,6]dec-3-enyl] acetate",
        "[(1R,7R)-8-tricyclo[5.2.1.02,6]dec-3-enyl] ethanoate",
        "[(1S,7S,8R)-8-tricyclo[5.2.1.02,6]dec-3-enyl] acetate",
        "[(1S,7S,8R)-8-tricyclo[5.2.1.02,6]dec-3-enyl] ethanoate",
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