CHEBI:171885 - Apo-12'-violaxanthal

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Apo-12'-violaxanthal
ChEBI ID CHEBI:171885
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H34O3
Net Charge 0
Average Mass 382.544
Monoisotopic Mass 382.25079
InChI InChI=1S/C25H34O3/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-25-23(4,5)16-22(27)17-24(25,6)28-25/h7-15,18,22,27H,16-17H2,1-6H3/b8-7+,12-9+,15-14+,19-10+,20-13-,21-11-
InChIKey CAXVJDRXJFKYQP-RXCALXPUSA-N
SMILES O1C2(C1(CC(O)CC2(C)C)C)/C=C/C(/C)=C\C=C\C(\C)=C\C=C\C=C(\C)/C=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in Pooled sample (NCIT:C45910). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing Apo-12'-violaxanthal (CHEBI:171885) is a diterpenoid (CHEBI:23849)
IUPAC Name
(2Z,4E,6E,8E,10Z,12E)-13-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)-2,7,11-trimethyltrideca-2,4,6,8,10,12-hexaenal
Manual Xrefs Databases
35013802 ChemSpider
HMDB0034953 HMDB
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