CHEBI:217007 - Botryotin B

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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 B
ChEBI ID CHEBI:217007
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H32O5
Net Charge 0
Average Mass 352.471
Monoisotopic Mass 352.22497
InChI InChI=1S/C20H32O5/c1-17-5-4-15(23)18(2,10-21)13(17)3-6-19-7-8-20(25,11-22)12(16(19)24)9-14(17)19/h9,12-13,15-16,21-25H,3-8,10-11H2,1-2H3/t12-,13+,15+,16+,17-,18-,19+,20-/m0/s1
InChIKey WMPSVBGPWPMDOE-JIJHKKPBSA-N
SMILES O[C@]1([C@H]2C=C3[C@@]4([C@H]([C@@]([C@H](O)CC4)(CO)C)CC[C@@]3([C@@H]2O)CC1)C)CO
Metabolite of Species Details
Botrytis cinerea (NCBI:txid40559) See: PubMed
ChEBI Ontology
Outgoing Botryotin B (CHEBI:217007) is a tertiary alcohol (CHEBI:26878)
IUPAC Name
(1R,4R,5R,6R,9S,12S,13R,16R)-5,13-bis(hydroxymethyl)-5,9-dimethyltetracyclo[10.3.1.01,10.04,9]hexadec-10-ene-6,13,16-triol
Manual Xref Database
81363748 ChemSpider
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