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6,10-dimethylundeca-5,9-dien-2-one

UUID 753baea7-fa21-4eb4-917b-6646c6702c3f
Deprecated yes
Replaced By 1fc812cf-4aca-4be0-8027-561eed733365
Flow Object IDfo-36643d013c5be50e
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 689-67-8
EC Numbers 211-711-2
prefLabel
Language Value Provenance
en 6,10-dimethylundeca-5,9-dien-2-one
altLabel
Language Value Provenance
en 2,6-Dimethylundeca-2,6-dien-10-one
en 5,9-Hendecadien-2-one, 6,10-dimethyl-
en 5,9-Undecadien-2-one, 6,10-dimethyl-
en 6,10-Dimethyl-5,9-undec-2-one
en 6,10-Dimethyl-5,9-undecadien-2-one
en 6,10-Dimethyl-5,9-undecadiene-2-one
en Dihydropseudoionone
en NSC 406679
References
Shared Properties
Predicate Value
InChIKey BTDPJAIYPGMXHQ-UHFFFAOYSA-N, HNZUNIKWNYHEJJ-FMIVXFBMSA-N, HNZUNIKWNYHEJJ-UHFFFAOYSA-N, HNZUNIKWNYHEJJ-XFXZXTDPSA-N
InChI InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3, InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3/b12-9+, InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3/b12-9-, InChI=1S/C9H16.C4H8O/c1-8(2)6-5-7-9(3)4;1-3-4(2)5/h7H,1,5-6H2,2-4H3;3H2,1-2H3
IUPAC name (5E)-6,10-dimethyl-2-undeca-5,9-dienone, (5E)-6,10-dimethylundeca-5,9-dien-2-one, (5Z)-6,10-dimethyl-2-undeca-5,9-dienone, (5Z)-6,10-dimethylundeca-5,9-dien-2-one, 2-butanone;2,6-dimethylhepta-1,5-diene, 6,10-dimethyl-2-undeca-5,9-dienone, 6,10-dimethylundeca-5,9-dien-2-one, butan-2-one;2,6-dimethylhepta-1,5-diene
Molecular formula C13H22O, C13H24O
SMILES CC(=CCC/C(=C/CCC(=O)C)/C)C, CC(=CCC/C(=C\CCC(=O)C)/C)C, CC(=CCCC(=CCCC(=O)C)C)C, CCC(=O)C.CC(=CCCC(=C)C)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 753baea7-fa21-4eb4-917b-6646c6702c3f reaction mass of (5z)-6,10-dimethylundeca-5,9-dien-2-one and (5e)-6,10-dimethylundeca-5,9-dien-2-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=reactionmassof(5z)-6,10-dimethylundeca-5,9-dien-2-oneand(5e)-6,10-dimethylundeca-5,9-dien-2-one||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=689-67-8; added Common Chemistry CAS names as altLabel: 2,6-Dimethylundeca-2,6-dien-10-one, 5,9-Hendecadien-2-one, 6,10-dimethyl-, 5,9-Undecadien-2-one, 6,10-dimethyl-, 6,10-Dimethyl-5,9-undec-2-one, 6,10-Dimethyl-5,9-undecadien-2-one, 6,10-Dimethyl-5,9-undecadiene-2-one, Dihydropseudoionone, NSC 406679; object_uuid=fo-36643d013c5be50e
cas_match_labels 1 consensus_match group_key=reactionmassof(5z)-6,10-dimethylundeca-5,9-dien-2-oneand(5e)-6,10-dimethylundeca-5,9-dien-2-one||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory']; cas_sources={'689-67-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-36643d013c5be50e: {'689-67-8': 'exactMatch'}
prefLabel 1 consensus_match group_key=reactionmassof(5z)-6,10-dimethylundeca-5,9-dien-2-oneand(5e)-6,10-dimethylundeca-5,9-dien-2-one||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=689-67-8; set prefLabel for unique CAS in context using entropy rule; selected=pubchem; current_entropy=4.2241; pubchem_entropy=4.0323; current_score=4.9741; pubchem_score=4.3023; score_improvement=0.6718; threshold=0.400; min_margin=0.400; object_uuid=fo-36643d013c5be50e

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': 'Reaction Mass Of (5z)-6,10-dimethylundeca-5,9-dien-2-one And (5e)-6,10-dimethylundeca-5,9-dien-2-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': '6,10-dimethylundeca-5,9-dien-2-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:689-67-8', 'name:6,10-dimethylundeca-5,9-dien-2-one', 'https://pubchem.ncbi.nlm.nih.gov/compound/19633'], 'prov:wasDerivedFrom': 'pubchem preferred label selection'}}] group_key=reactionmassof(5z)-6,10-dimethylundeca-5,9-dien-2-oneand(5e)-6,10-dimethylundeca-5,9-dien-2-one||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=689-67-8; set prefLabel for unique CAS in context using entropy rule; selected=pubchem; current_entropy=4.2241; pubchem_entropy=4.0323; current_score=4.9741; pubchem_score=4.3023; score_improvement=0.6718; threshold=0.400; min_margin=0.400; object_uuid=fo-36643d013c5be50e
altLabel None [{'@value': 'Reaction Mass Of (5z)-6,10-dimethylundeca-5,9-dien-2-one And (5e)-6,10-dimethylundeca-5,9-dien-2-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original EF name retained as altLabel'}}] group_key=reactionmassof(5z)-6,10-dimethylundeca-5,9-dien-2-oneand(5e)-6,10-dimethylundeca-5,9-dien-2-one||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=689-67-8; added current EF name as altLabel when prefLabel differs; object_uuid=fo-36643d013c5be50e
altLabel [{'@value': 'Reaction Mass Of (5z)-6,10-dimethylundeca-5,9-dien-2-one And (5e)-6,10-dimethylundeca-5,9-dien-2-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original EF name retained as altLabel'}}] [{'@value': '2,6-Dimethylundeca-2,6-dien-10-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:689-67-8', 'https://commonchemistry.cas.org/detail?cas_rn=689-67-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '5,9-Hendecadien-2-one, 6,10-dimethyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:689-67-8', 'https://commonchemistry.cas.org/detail?cas_rn=689-67-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '5,9-Undecadien-2-one, 6,10-dimethyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:689-67-8', 'https://commonchemistry.cas.org/detail?cas_rn=689-67-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '6,10-Dimethyl-5,9-undec-2-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:689-67-8', 'https://commonchemistry.cas.org/detail?cas_rn=689-67-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '6,10-Dimethyl-5,9-undecadien-2-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:689-67-8', 'https://commonchemistry.cas.org/detail?cas_rn=689-67-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '6,10-Dimethyl-5,9-undecadiene-2-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:689-67-8', 'https://commonchemistry.cas.org/detail?cas_rn=689-67-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dihydropseudoionone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:689-67-8', 'https://commonchemistry.cas.org/detail?cas_rn=689-67-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 406679', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:689-67-8', 'https://commonchemistry.cas.org/detail?cas_rn=689-67-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=reactionmassof(5z)-6,10-dimethylundeca-5,9-dien-2-oneand(5e)-6,10-dimethylundeca-5,9-dien-2-one||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=689-67-8; added Common Chemistry CAS names as altLabel: 2,6-Dimethylundeca-2,6-dien-10-one, 5,9-Hendecadien-2-one, 6,10-dimethyl-, 5,9-Undecadien-2-one, 6,10-dimethyl-, 6,10-Dimethyl-5,9-undec-2-one, 6,10-Dimethyl-5,9-undecadien-2-one, 6,10-Dimethyl-5,9-undecadiene-2-one, Dihydropseudoionone, NSC 406679; object_uuid=fo-36643d013c5be50e
cas_match_labels None {'689-67-8': 'exactMatch'} group_key=reactionmassof(5z)-6,10-dimethylundeca-5,9-dien-2-oneand(5e)-6,10-dimethylundeca-5,9-dien-2-one||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory']; cas_sources={'689-67-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-36643d013c5be50e: {'689-67-8': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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