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Phorone

UUID ebd31cda-6e1b-4d78-989b-9185175f3ae1
Deprecated yes
Replaced By a4945150-ebb9-496a-bfb1-10403cd56cfc
Flow Object IDfo-ac11c18bd979b051
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 504-20-1
EC Numbers 207-986-3
prefLabel ⓘ
Language Value Provenance
en Phorone
altLabel ⓘ
Language Value Provenance
en 2,5-Heptadien-4-one, 2,6-dimethyl-
en Diisobutenyl ketone
en Diisopropylidene acetone
en s-Diisopropylidene acetone
en sym-Diisopropylidene acetone
en 2,6-Dimethyl-2,5-heptadien-4-one
en <em>sym</em>-Diisopropylidene acetone
en Foron
en NSC 38718
en NSC 403517
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey MTZWHHIREPJPTG-UHFFFAOYSA-N
InChI InChI=1S/C9H14O/c1-7(2)5-9(10)6-8(3)4/h5-6H,1-4H3
IUPAC name 2,6-dimethyl-4-hepta-2,5-dienone, 2,6-dimethylhepta-2,5-dien-4-one
Molecular formula C9H14O
Molecular mass 138.21
Monoisotopic mass 138.10447
SMILES CC(=CC(=O)C=C(C)C)C, CC(C)=CC(=O)C=C(C)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 ebd31cda-6e1b-4d78-989b-9185175f3ae1 2,6-dimethylhepta-2,5-dien-4-one

Consolidated Field Provenance

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

Field Change Count Latest Time Transformers Latest Comment
altLabel 2 — consensus_match group_key=2,6-dimethylhepta-2,5-dien-4-one||dimension=Environmental > media=Water > water_body=Ocean; cas=504-20-1; added Common Chemistry CAS names as altLabel: 2,6-Dimethyl-2,5-heptadien-4-one, <em>sym</em>-Diisopropylidene acetone, Foron, NSC 38718, NSC 403517; object_uuid=fo-ac11c18bd979b051
cas_match_labels 1 — consensus_match group_key=2,6-dimethylhepta-2,5-dien-4-one||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'504-20-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ac11c18bd979b051: {'504-20-1': 'exactMatch'}
prefLabel 1 — consensus_match cas=504-20-1; cc_chebi_agreed_name='Phorone'; object_uuid=fo-ac11c18bd979b051

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': '2,6-dimethylhepta-2,5-dien-4-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': 'Phorone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:504-20-1'], 'prov:wasDerivedFrom': 'Common Chemistry / ChEBI primary name agreement'}}] cas=504-20-1; cc_chebi_agreed_name='Phorone'; object_uuid=fo-ac11c18bd979b051
altLabel [{'@value': '2,5-Heptadien-4-one, 2,6-dimethyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2,5-Heptadien-4-one, 2,6-dimethyl-', 'http://purl.obolibrary.org/obo/CHEBI_35572', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Diisobutenyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Diisobutenyl ketone', 'http://purl.obolibrary.org/obo/CHEBI_35572', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Diisopropylidene acetone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Diisopropylidene acetone', 'http://purl.obolibrary.org/obo/CHEBI_35572', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 's-Diisopropylidene acetone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:s-Diisopropylidene acetone', 'http://purl.obolibrary.org/obo/CHEBI_35572', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'sym-Diisopropylidene acetone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:sym-Diisopropylidene acetone', 'http://purl.obolibrary.org/obo/CHEBI_35572', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '2,5-Heptadien-4-one, 2,6-dimethyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2,5-Heptadien-4-one, 2,6-dimethyl-', 'http://purl.obolibrary.org/obo/CHEBI_35572', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Diisobutenyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Diisobutenyl ketone', 'http://purl.obolibrary.org/obo/CHEBI_35572', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Diisopropylidene acetone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Diisopropylidene acetone', 'http://purl.obolibrary.org/obo/CHEBI_35572', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 's-Diisopropylidene acetone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:s-Diisopropylidene acetone', 'http://purl.obolibrary.org/obo/CHEBI_35572', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'sym-Diisopropylidene acetone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:sym-Diisopropylidene acetone', 'http://purl.obolibrary.org/obo/CHEBI_35572', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2,6-dimethylhepta-2,5-dien-4-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] cas=504-20-1; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-ac11c18bd979b051
altLabel [{'@value': '2,5-Heptadien-4-one, 2,6-dimethyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2,5-Heptadien-4-one, 2,6-dimethyl-', 'http://purl.obolibrary.org/obo/CHEBI_35572', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Diisobutenyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Diisobutenyl ketone', 'http://purl.obolibrary.org/obo/CHEBI_35572', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Diisopropylidene acetone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Diisopropylidene acetone', 'http://purl.obolibrary.org/obo/CHEBI_35572', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 's-Diisopropylidene acetone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:s-Diisopropylidene acetone', 'http://purl.obolibrary.org/obo/CHEBI_35572', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'sym-Diisopropylidene acetone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:sym-Diisopropylidene acetone', 'http://purl.obolibrary.org/obo/CHEBI_35572', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2,6-dimethylhepta-2,5-dien-4-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] [{'@value': '2,5-Heptadien-4-one, 2,6-dimethyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2,5-Heptadien-4-one, 2,6-dimethyl-', 'http://purl.obolibrary.org/obo/CHEBI_35572', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Diisobutenyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Diisobutenyl ketone', 'http://purl.obolibrary.org/obo/CHEBI_35572', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Diisopropylidene acetone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Diisopropylidene acetone', 'http://purl.obolibrary.org/obo/CHEBI_35572', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 's-Diisopropylidene acetone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:s-Diisopropylidene acetone', 'http://purl.obolibrary.org/obo/CHEBI_35572', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'sym-Diisopropylidene acetone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:sym-Diisopropylidene acetone', 'http://purl.obolibrary.org/obo/CHEBI_35572', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2,6-Dimethyl-2,5-heptadien-4-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:504-20-1', 'https://commonchemistry.cas.org/detail?cas_rn=504-20-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>sym</em>-Diisopropylidene acetone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:504-20-1', 'https://commonchemistry.cas.org/detail?cas_rn=504-20-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Foron', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:504-20-1', 'https://commonchemistry.cas.org/detail?cas_rn=504-20-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 38718', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:504-20-1', 'https://commonchemistry.cas.org/detail?cas_rn=504-20-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 403517', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:504-20-1', 'https://commonchemistry.cas.org/detail?cas_rn=504-20-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=2,6-dimethylhepta-2,5-dien-4-one||dimension=Environmental > media=Water > water_body=Ocean; cas=504-20-1; added Common Chemistry CAS names as altLabel: 2,6-Dimethyl-2,5-heptadien-4-one, <em>sym</em>-Diisopropylidene acetone, Foron, NSC 38718, NSC 403517; object_uuid=fo-ac11c18bd979b051
cas_match_labels None {'504-20-1': 'exactMatch'} group_key=2,6-dimethylhepta-2,5-dien-4-one||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'504-20-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ac11c18bd979b051: {'504-20-1': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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    "water_body": "Unknown"
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  "unit": "kg",
  "lcia_methods": [],
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