Botryenalol (CHEBI:204634)

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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	Botryenalol

ChEBI ID	CHEBI:204634

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C17H26O4

Net Charge

Average Mass

294.391

Monoisotopic Mass

294.18311

InChI

InChI=1S/C17H26O4/c1-10-6-13(21-11(2)20)15-14(12(10)7-18)17(5,9-19)8-16(15,3)4/h7,10,13,15,19H,6,8-9H2,1-5H3/t10-,13+,15-,17-/m1/s1

InChIKey

DSVSTMJOGQEZJX-BYLNDYCFSA-N

SMILES

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

Metabolite of Species	Details
Botrytis cinerea (NCBI:txid40559)	See: DOI

ChEBI Ontology
Outgoing	Botryenalol (CHEBI:204634) is a carboxylic ester (CHEBI:33308)

IUPAC Name

[(1S,3aS,4S,6R)-7-ormyl-1-(hydroxymethyl)-1,3,3,6-tetramethyl-3a,4,5,6-tetrahydro-2H-inden-4-yl] acetate