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CHEBI:208069 - ICM0301 G

ChEBI IDCHEBI:208069
ChEBI NameICM0301 G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H36O4
Net Charge0
Average Mass388.548
Monoisotopic Mass388.26136
SMILESC/C=C(\C)[C@H]1[C@@H](/C=C/C=C(\C)C(C)=O)[C@@H]2C[C@@H](OC)[C@](C)(O)C[C@H]2[C@@H]2O[C@@]21C
InChIInChI=1S/C24H36O4/c1-8-14(2)21-17(11-9-10-15(3)16(4)25)18-12-20(27-7)23(5,26)13-19(18)22-24(21,6)28-22/h8-11,17-22,26H,12-13H2,1-7H3/b11-9+,14-8+,15-10+/t17-,18-,19+,20+,21-,22-,23+,24+/m0/s1
InChIKeyGODAEQZGMJZPEP-DXDKOESUSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (15112957)
ChEBI Ontology
Outgoing Relation(s)
ICM0301 G (CHEBI:208069) is a oxacycle (CHEBI:38104)
IUPAC Name 
(3E,5E)-6-[(1aR,2R,3S,3aS,5R,6R,7aR,7bS)-2-[(E)-but-2-en-2-yl]-6-hydroxy-5-methoxy-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
8605804ChemSpider