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CHEBI:222270 - ICM0301 C

ChEBI IDCHEBI:222270
ChEBI NameICM0301 C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H35ClO3
Net Charge0
Average Mass406.994
Monoisotopic Mass406.22747
SMILESC/C=C(\C)[C@H]1[C@@H](/C=C/C=C(\C)C(=O)CC)[C@@H]2C[C@@H](Cl)[C@](C)(O)C[C@H]2[C@@H]2O[C@@]21C
InChIInChI=1S/C24H35ClO3/c1-7-14(3)21-16(11-9-10-15(4)19(26)8-2)17-12-20(25)23(5,27)13-18(17)22-24(21,6)28-22/h7,9-11,16-18,20-22,27H,8,12-13H2,1-6H3/b11-9+,14-7+,15-10+/t16-,17-,18+,20+,21-,22-,23+,24+/m0/s1
InChIKeyPHSSIDQQMMOHAI-QLKLMDKZSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (15112957)
ChEBI Ontology
Outgoing Relation(s)
ICM0301 C (CHEBI:222270) is a oxacycle (CHEBI:38104)
IUPAC Name 
(4E,6E)-7-[(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]-4-methylhepta-4,6-dien-3-one
Manual XrefsDatabases
8562102ChemSpider