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CHEBI:202743 - ICM0301 F

ChEBI IDCHEBI:202743
ChEBI NameICM0301 F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H34O3
Net Charge0
Average Mass358.522
Monoisotopic Mass358.25079
SMILESC/C=C(\C)[C@H]1[C@@H](/C=C/C=C(\C)C(C)=O)[C@@H]2CC[C@](C)(O)C[C@H]2[C@@H]2O[C@@]21C
InChIInChI=1S/C23H34O3/c1-7-14(2)20-18(10-8-9-15(3)16(4)24)17-11-12-22(5,25)13-19(17)21-23(20,6)26-21/h7-10,17-21,25H,11-13H2,1-6H3/b10-8+,14-7+,15-9+/t17-,18-,19+,20-,21-,22-,23+/m0/s1
InChIKeyVRTXMACROVQVQZ-KSHVZNHVSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (15112957)
ChEBI Ontology
Outgoing Relation(s)
ICM0301 F (CHEBI:202743) is a oxacycle (CHEBI:38104)
IUPAC Name 
(3E,5E)-6-[(1aR,2R,3S,3aS,6S,7aR,7bS)-2-[(E)-but-2-en-2-yl]-6-hydroxy-1a,6-dimethyl-2,3,3a,4,5,7,7a,7b-octahydronaphtho[1,2-b]oxiren-3-yl]-3-methylhexa-3,5-dien-2-one
Manual XrefsDatabases
8649011ChemSpider