CHEBI:204796 - Botryendial

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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 Botryendial
ChEBI ID CHEBI:204796
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C17H24O4
Net Charge 0
Average Mass 292.375
Monoisotopic Mass 292.16746
InChI InChI=1S/C17H24O4/c1-10-6-13(21-11(2)20)15-14(12(10)7-18)17(5,9-19)8-16(15,3)4/h7,9-10,13,15H,6,8H2,1-5H3/t10-,13+,15-,17-/m1/s1
InChIKey QWZKEROSOALLJP-BYLNDYCFSA-N
SMILES O=C(O[C@@H]1[C@@H]2C(=C(C=O)[C@@H](C1)C)[C@](C=O)(C)CC2(C)C)C
Metabolite of Species Details
Botrytis cinerea (NCBI:txid40559) See: DOI
ChEBI Ontology
Outgoing Botryendial (CHEBI:204796) is a carboxylic ester (CHEBI:33308)
IUPAC Name
[(1S,3aS,4S,6R)-1,7-diormyl-1,3,3,6-tetramethyl-3a,4,5,6-tetrahydro-2H-inden-4-yl] acetate
Manual Xref Database
8978891 ChemSpider
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