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CHEBI:217033 - Botryotin F

ChEBI IDCHEBI:217033
ChEBI NameBotryotin F
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O6
Net Charge0
Average Mass366.454
Monoisotopic Mass366.20424
SMILESC[C@@]1(CO)[C@H](O)CC[C@]2(C)C3=C[C@H]4[C@@H](O)[C@]3(CC[C@@H]12)CC[C@]4(O)C(=O)O
InChIInChI=1S/C20H30O6/c1-17-5-4-14(22)18(2,10-21)12(17)3-6-19-7-8-20(26,16(24)25)11(15(19)23)9-13(17)19/h9,11-12,14-15,21-23,26H,3-8,10H2,1-2H3,(H,24,25)/t11-,12+,14+,15+,17-,18-,19+,20+/m0/s1
InChIKeyBLAFHTJMQHNKOC-ZFEDMJFOSA-N
Species of MetaboliteComponentSourceComments
Botrytis cinerea (ncbitaxon:40559) - PubMed (31880464)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Botryotin F (CHEBI:217033) is a hydroxy monocarboxylic acid (CHEBI:35868)
IUPAC Name 
(1R,4R,5R,6R,9S,12S,13R,16R)-6,13,16-trihydroxy-5-(hydroxymethyl)-5,9-dimethyltetracyclo[10.3.1.01,10.04,9]hexadec-10-ene-13-carboxylic acid
Manual XrefsDatabases
81363752ChemSpider