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CHEBI:192274 - Colletotrichin

ChEBI IDCHEBI:192274
ChEBI NameColletotrichin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H42O7
Net Charge0
Average Mass490.637
Monoisotopic Mass490.29305
SMILES[H][C@]12CCC(=C)[C@H](Cc3c(OC)oc(C)c(C(=O)OC)c3=O)[C@]1(C)CC[C@H](O)[C@]2(C)CCC(C)(C)O
InChIInChI=1S/C28H42O7/c1-16-9-10-20-27(5,12-11-21(29)28(20,6)14-13-26(3,4)32)19(16)15-18-23(30)22(24(31)33-7)17(2)35-25(18)34-8/h19-21,29,32H,1,9-15H2,2-8H3/t19-,20-,21-,27-,28+/m0/s1
InChIKeyIUNGBSYMDFEAMS-KPRONASWSA-N
Species of MetaboliteComponentSourceComments
Colletotrichum sublineola (ncbitaxon:1173701) - MetaboLights (MTBLS735)
ChEBI Ontology
Outgoing Relation(s)
Colletotrichin (CHEBI:192274) is a pyranone (CHEBI:37963)
IUPAC Name 
methyl 5-[[(1S,4aS,5R,6S,8aS)-6-hydroxy-5-(3-hydroxy-3-methylbutyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-6-methoxy-2-methyl-4-oxopyran-3-carboxylate
Manual XrefsDatabases
84259ChemSpider
Registry NumbersSources
CAS:61235-00-5ChemIDplus