CHEBI:192274 - Colletotrichin

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ChEBI Name Colletotrichin
ChEBI ID CHEBI:192274
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H42O7
Net Charge 0
Average Mass 490.637
Monoisotopic Mass 490.29305
InChI InChI=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
InChIKey IUNGBSYMDFEAMS-KPRONASWSA-N
SMILES O[C@@H]1[C@@]([C@@]2([C@]([C@H](C(CC2)=C)CC=3C(=O)C(=C(OC3OC)C)C(OC)=O)(CC1)C)[H])(CCC(O)(C)C)C
Metabolite of Species Details
Colletotrichum sublineola (NCBI:txid1173701) See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
84259 ChemSpider
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Registry Number Type Source
61235-00-5 CAS Registry Number ChemIDplus