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CHEBI:207600 - Sequoiatone D

ChEBI IDCHEBI:207600
ChEBI NameSequoiatone D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30O6
Net Charge0
Average Mass390.476
Monoisotopic Mass390.20424
SMILESCOC(=O)C1=C2C=C(C)OC=C2[C@](C)(O)/C1=C/C(=O)[C@@H](C)CCCCCCO
InChIInChI=1S/C22H30O6/c1-14(9-7-5-6-8-10-23)19(24)12-17-20(21(25)27-4)16-11-15(2)28-13-18(16)22(17,3)26/h11-14,23,26H,5-10H2,1-4H3/b17-12+/t14-,22+/m0/s1
InChIKeyWGHKHGDABDZHGB-JVEVTSHPSA-N
Species of MetaboliteComponentSourceComments
Aspergillus parasiticus (ncbitaxon:5067) - PubMed (11678666)
ChEBI Ontology
Outgoing Relation(s)
Sequoiatone D (CHEBI:207600) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
methyl (6E,7R)-7-hydroxy-6-[(3S)-9-hydroxy-3-methyl-2-oxononylidene]-3,7-dimethylcyclopenta[c]pyran-5-carboxylate
Manual XrefsDatabases
9058925ChemSpider