Colletotrichine A (CHEBI:220739)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Colletotrichine A

ChEBI ID	CHEBI:220739

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H22O3

Net Charge

Average Mass

250.338

Monoisotopic Mass

250.15689

InChI

InChI=1S/C15H22O3/c1-9(2)7-12-13(16)11(4)15(18)8-14(12,17)6-5-10(15)3/h7,11-12,17-18H,3,5-6,8H2,1-2,4H3/t11-,12-,14-,15-/m1/s1

InChIKey

XMSUMOLPNNGWLR-QHSBEEBCSA-N

SMILES

O=C1[C@@H](C=C(C)C)[C@]2(O)C[C@@]([C@@H]1C)(O)C(=C)CC2

Metabolite of Species	Details
Colletotrichum (NCBI:txid5455)	See: PubMed

ChEBI Ontology
Outgoing	Colletotrichine A (CHEBI:220739) is a tertiary alcohol (CHEBI:26878)

IUPAC Name

(1R,2S,4S,5S)-1,5-dihydroxy-4-methyl-6-methylidene-2-(2-methylprop-1-enyl)bicyclo[3.3.1]nonan-3-one