CHEBI:217000 - Botryotin A

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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 Botryotin A
ChEBI ID CHEBI:217000
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C22H34O5
Net Charge 0
Average Mass 378.509
Monoisotopic Mass 378.24062
InChI InChI=1S/C22H34O5/c1-13(24)27-12-22(26)9-6-15-16(22)10-14-4-5-17-20(2,19(14)15)8-7-18(25)21(17,3)11-23/h15-18,23,25-26H,4-12H2,1-3H3/t15-,16+,17+,18+,20-,21-,22-/m0/s1
InChIKey JXPYANFTZBPENQ-JLIUZTLYSA-N
SMILES O=C(OC[C@]1(O)[C@H]2[C@@H](C=3[C@@]4([C@H]([C@@]([C@H](O)CC4)(CO)C)CCC3C2)C)CC1)C
Metabolite of Species Details
Botrytis cinerea (NCBI:txid40559) See: PubMed
ChEBI Ontology
Outgoing Botryotin A (CHEBI:217000) is a tertiary alcohol (CHEBI:26878)
IUPAC Name
[(2S,5R,6R,7R,12R,13R,16S)-5,13-dihydroxy-6-(hydroxymethyl)-2,6-dimethyl-13-tetracyclo[8.6.0.02,7.012,16]hexadec-1(10)-enyl]methyl acetate