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CHEBI:172765 - 7,8-Dehydroastaxanthianthin

Default Structure
ChEBI IDCHEBI:172765
ChEBI Name7,8-Dehydroastaxanthianthin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H50O4
Net Charge0
Average Mass594.836
Monoisotopic Mass594.37091
SMILESCC1=C(C#C/C(C)=C\C=C\C(C)=C\C=C\C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)C(O)CC2(C)C)C(C)(C)CC(O)C1=O
InChIInChI=1S/C40H50O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-21,23,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,27-15-,28-16+,29-19+,30-20-
InChIKeyBZQRJBLJDFPOBX-FOERLQQGSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
7,8-Dehydroastaxanthianthin (CHEBI:172765) is a triterpenoid (CHEBI:36615)
IUPAC Name 
6-hydroxy-3-[(1E,3E,5E,7Z,9E,11E,13E,15Z)-18-(4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]-2,4,4-trimethylcyclohex-2-en-1-one
Manual XrefsDatabases
35014286ChemSpider
HMDB0036872HMDB