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Jasmolin Ii

UUID 6e0a6784-5e32-4cb6-b856-307e9783f569
Flow Object IDfo-57d10316031ff159
Source EF 3.1
Context Environmental → Ground → Unknown
CAS Numbers 1172-63-0
EC Numbers 232-319-8
prefLabel
Language Value Provenance
en Jasmolin Ii
altLabel ⓘ
Language Value Provenance
en (1S)-2-methyl-4-oxo-3-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl (1R,3R)-3-[(1E)-3-methoxy-2-methyl-3-oxoprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate
en 2-Cyclopenten-1-one, 4-hydroxy-3-methyl-2-(2-pentenyl)-, 3-ester with 1-methyl 3-carboxy-α,2,2-trimethylcyclopropaneacrylate
en Cyclopropaneacrylic acid, 3-carboxy-α,2,2-trimethyl-, 1-methyl ester, ester with 4-hydroxy-3-methyl-2-(2-pentenyl)-2-cyclopenten-1-one
en Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, 2-methyl-4-oxo-3-(2-pentenyl)-2-cyclopenten-1-yl ester, [1<em>R</em>-[1α[<em>S</em>*(<em>Z</em>)],3β(<em>E</em>)]]-
en Cyclopropanecarboxylic acid, 3-[(1<em>E</em>)-3-methoxy-2-methyl-3-oxo-1-propen-1-yl]-2,2-dimethyl-, (1<em>S</em>)-2-methyl-4-oxo-3-(2<em>Z</em>)-2-penten-1-yl-2-cyclopenten-1-yl ester, (1<em>R</em>,3<em>R</em>)-
en Cyclopropanecarboxylic acid, 3-[(1<em>E</em>)-3-methoxy-2-methyl-3-oxo-1-propenyl]-2,2-dimethyl-, (1<em>S</em>)-2-methyl-4-oxo-3-(2<em>Z</em>)-2-pentenyl-2-cyclopenten-1-yl ester, (1<em>R</em>,3<em>R</em>)-
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey WKNSDDMJXANVMK-XIGJTORUSA-N
InChI InChI=1S/C22H30O5/c1-7-8-9-10-15-14(3)18(12-17(15)23)27-21(25)19-16(22(19,4)5)11-13(2)20(24)26-6/h8-9,11,16,18-19H,7,10,12H2,1-6H3/b9-8-,13-11+/t16-,18+,19+/m1/s1
IUPAC name cis-(1R,3R)-3-[(E)-3-keto-3-methoxy-2-methyl-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylic acid [(1S)-4-keto-2-methyl-3-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl] ester, cis-(1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid [(1S)-2-methyl-4-oxo-3-[(Z)-pent-2-enyl]-1-cyclopent-2-enyl] ester, cis-[(1S)-2-methyl-4-oxidanylidene-3-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl] (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxidanylidene-prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate, cis-[(1S)-2-methyl-4-oxo-3-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl] (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxo-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylate, cis-[(1S)-2-methyl-4-oxo-3-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl] (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
Molecular formula C22H30O5
Molecular mass 374.477
Monoisotopic mass 374.20932
SMILES CC/C=CCC1=C(C)[C@@H](OC(=O)[C@@H]2[C@@H](/C=C(C)C(=O)OC)C2(C)C)CC1=O, CC/C=C\CC1=C([C@H](CC1=O)OC(=O)[C@@H]2[C@H](C2(C)C)/C=C(\C)/C(=O)OC)C, CCC=CCC1=C(C(CC1=O)OC(=O)C2C(C2(C)C)C=C(C)C(=O)OC)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 6e0a6784-5e32-4cb6-b856-307e9783f569 jasmolin ii

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 jasmolin ii Emissions/Emissions to soil/Emissions to non-agricultural soil 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=jasmolinii||dimension=Environmental > media=Air > strata=Unknown; cas=1172-63-0; added Common Chemistry CAS names as altLabel: 2-Cyclopenten-1-one, 4-hydroxy-3-methyl-2-(2-pentenyl)-, 3-ester with 1-methyl 3-carboxy-α,2,2-trimethylcyclopropaneacrylate, Cyclopropaneacrylic acid, 3-carboxy-α,2,2-trimethyl-, 1-methyl ester, ester with 4-hydroxy-3-methyl-2-(2-pentenyl)-2-cyclopenten-1-one, Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, 2-methyl-4-oxo-3-(2-pentenyl)-2-cyclopenten-1-yl ester, [1<em>R</em>-[1α[<em>S</em>*(<em>Z</em>)],3β(<em>E</em>)]]-, Cyclopropanecarboxylic acid, 3-[(1<em>E</em>)-3-methoxy-2-methyl-3-oxo-1-propen-1-yl]-2,2-dimethyl-, (1<em>S</em>)-2-methyl-4-oxo-3-(2<em>Z</em>)-2-penten-1-yl-2-cyclopenten-1-yl ester, (1<em>R</em>,3<em>R</em>)-, Cyclopropanecarboxylic acid, 3-[(1<em>E</em>)-3-methoxy-2-methyl-3-oxo-1-propenyl]-2,2-dimethyl-, (1<em>S</em>)-2-methyl-4-oxo-3-(2<em>Z</em>)-2-pentenyl-2-cyclopenten-1-yl ester, (1<em>R</em>,3<em>R</em>)-; object_uuid=fo-57d10316031ff159
cas_match_labels 1 — consensus_match group_key=jasmolinii||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'pubchem']; cas_sources={'1172-63-0': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-57d10316031ff159: {'1172-63-0': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '(1S)-2-methyl-4-oxo-3-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl (1R,3R)-3-[(1E)-3-methoxy-2-methyl-3-oxoprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(1S)-2-methyl-4-oxo-3-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl (1R,3R)-3-[(1E)-3-methoxy-2-methyl-3-oxoprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate', 'http://purl.obolibrary.org/obo/CHEBI_39114', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '(1S)-2-methyl-4-oxo-3-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl (1R,3R)-3-[(1E)-3-methoxy-2-methyl-3-oxoprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(1S)-2-methyl-4-oxo-3-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl (1R,3R)-3-[(1E)-3-methoxy-2-methyl-3-oxoprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate', 'http://purl.obolibrary.org/obo/CHEBI_39114', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-Cyclopenten-1-one, 4-hydroxy-3-methyl-2-(2-pentenyl)-, 3-ester with 1-methyl 3-carboxy-α,2,2-trimethylcyclopropaneacrylate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1172-63-0', 'https://commonchemistry.cas.org/detail?cas_rn=1172-63-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cyclopropaneacrylic acid, 3-carboxy-α,2,2-trimethyl-, 1-methyl ester, ester with 4-hydroxy-3-methyl-2-(2-pentenyl)-2-cyclopenten-1-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1172-63-0', 'https://commonchemistry.cas.org/detail?cas_rn=1172-63-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, 2-methyl-4-oxo-3-(2-pentenyl)-2-cyclopenten-1-yl ester, [1<em>R</em>-[1α[<em>S</em>*(<em>Z</em>)],3β(<em>E</em>)]]-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1172-63-0', 'https://commonchemistry.cas.org/detail?cas_rn=1172-63-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cyclopropanecarboxylic acid, 3-[(1<em>E</em>)-3-methoxy-2-methyl-3-oxo-1-propen-1-yl]-2,2-dimethyl-, (1<em>S</em>)-2-methyl-4-oxo-3-(2<em>Z</em>)-2-penten-1-yl-2-cyclopenten-1-yl ester, (1<em>R</em>,3<em>R</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1172-63-0', 'https://commonchemistry.cas.org/detail?cas_rn=1172-63-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cyclopropanecarboxylic acid, 3-[(1<em>E</em>)-3-methoxy-2-methyl-3-oxo-1-propenyl]-2,2-dimethyl-, (1<em>S</em>)-2-methyl-4-oxo-3-(2<em>Z</em>)-2-pentenyl-2-cyclopenten-1-yl ester, (1<em>R</em>,3<em>R</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1172-63-0', 'https://commonchemistry.cas.org/detail?cas_rn=1172-63-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=jasmolinii||dimension=Environmental > media=Air > strata=Unknown; cas=1172-63-0; added Common Chemistry CAS names as altLabel: 2-Cyclopenten-1-one, 4-hydroxy-3-methyl-2-(2-pentenyl)-, 3-ester with 1-methyl 3-carboxy-α,2,2-trimethylcyclopropaneacrylate, Cyclopropaneacrylic acid, 3-carboxy-α,2,2-trimethyl-, 1-methyl ester, ester with 4-hydroxy-3-methyl-2-(2-pentenyl)-2-cyclopenten-1-one, Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, 2-methyl-4-oxo-3-(2-pentenyl)-2-cyclopenten-1-yl ester, [1<em>R</em>-[1α[<em>S</em>*(<em>Z</em>)],3β(<em>E</em>)]]-, Cyclopropanecarboxylic acid, 3-[(1<em>E</em>)-3-methoxy-2-methyl-3-oxo-1-propen-1-yl]-2,2-dimethyl-, (1<em>S</em>)-2-methyl-4-oxo-3-(2<em>Z</em>)-2-penten-1-yl-2-cyclopenten-1-yl ester, (1<em>R</em>,3<em>R</em>)-, Cyclopropanecarboxylic acid, 3-[(1<em>E</em>)-3-methoxy-2-methyl-3-oxo-1-propenyl]-2,2-dimethyl-, (1<em>S</em>)-2-methyl-4-oxo-3-(2<em>Z</em>)-2-pentenyl-2-cyclopenten-1-yl ester, (1<em>R</em>,3<em>R</em>)-; object_uuid=fo-57d10316031ff159
cas_match_labels None {'1172-63-0': 'exactMatch'} group_key=jasmolinii||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'pubchem']; cas_sources={'1172-63-0': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-57d10316031ff159: {'1172-63-0': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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        "cis-(1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid [(1S)-2-methyl-4-oxo-3-[(Z)-pent-2-enyl]-1-cyclopent-2-enyl] ester",
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