Colletotrichone B (CHEBI:227537)

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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 B

ChEBI ID	CHEBI:227537

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H20O5

Net Charge

Average Mass

316.353

Monoisotopic Mass

316.13107

InChI

InChI=1S/C18H20O5/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/h6-9,14-15H,5H2,1-4H3/t9-,14+,15-,18-/m0/s1

InChIKey

MZMGICPQNSXAGE-VGSBGKTFSA-N

SMILES

O=C1C=C2C(=COC(=C2)C)[C@@H]3[C@]1(OC(=O)[C@H]3C(=O)[C@H](CC)C)C

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

ChEBI Ontology
Outgoing	Colletotrichone B (CHEBI:227537) is a cyclohexenones (CHEBI:48953)

IUPAC Name

(6aR,9R,9aR)-3,6a-dimethyl-9-[(2S)-2-methylbutanoyl]-9,9a-dihydrouro[2,3-h]isochromene-6,8-dione