Colletotrichone C (CHEBI:227542)

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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	Colletotrichone C

ChEBI ID	CHEBI:227542

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H22O5

Net Charge

Average Mass

318.369

Monoisotopic Mass

318.14672

InChI

InChI=1S/C18H22O5/c1-5-9(2)16(20)14-15-12-8-22-10(3)6-11(12)7-13(19)18(15,4)23-17(14)21/h6-7,9,12,14-15H,5,8H2,1-4H3/t9-,12+,14-,15+,18-/m0/s1

InChIKey

RULUWZZSXPWTCW-XENVASCMSA-N

SMILES

O=C1C=C2C=C(OC[C@H]2[C@H]3[C@]1(OC(=O)[C@@H]3C(=O)[C@H](CC)C)C)C

Metabolite of Species	Details
Colletotrichumspecies BS4 (NCBI:txid1540424)	See: PubMed

ChEBI Ontology
Outgoing	Colletotrichone C (CHEBI:227542) is a cyclohexenones (CHEBI:48953)

IUPAC Name

(6aR,9S,9aR,9bS)-3,6a-dimethyl-9-[(2S)-2-methylbutanoyl]-1,9,9a,9b-tetrahydrouro[2,3-h]isochromene-6,8-dione