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CHEBI:209775 - ICM0301 D

ChEBI IDCHEBI:209775
ChEBI NameICM0301 D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H33ClO3
Net Charge0
Average Mass392.967
Monoisotopic Mass392.21182
SMILESC/C=C(\C)[C@H]1[C@@H](/C=C/C=C(\C)C(C)=O)[C@@H]2C[C@@H](Cl)[C@](C)(O)C[C@H]2[C@@H]2O[C@@]21C
InChIInChI=1S/C23H33ClO3/c1-7-13(2)20-16(10-8-9-14(3)15(4)25)17-11-19(24)22(5,26)12-18(17)21-23(20,6)27-21/h7-10,16-21,26H,11-12H2,1-6H3/b10-8+,13-7+,14-9+/t16-,17-,18+,19+,20-,21-,22+,23+/m0/s1
InChIKeyCVRAYWZAMFZKCQ-JMRVPJKSSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (15112957)
ChEBI Ontology
Outgoing Relation(s)
ICM0301 D (CHEBI:209775) 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]-5-chloro-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
8153453ChemSpider