Botryotin H (CHEBI:217046)

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CHEBI:217046 - Botryotin H

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ChEBI ID	CHEBI:217046
ChEBI Name	Botryotin H
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C22H34O5
Net Charge	0
Average Mass	378.509
Monoisotopic Mass	378.24062
SMILES	CC(=O)OC[C@]1(O)C[C@@H]2C(=O)C[C@H]3C(C)(C)[C@H](O)CC[C@]3(C)[C@]23CC[C@H]1C3
InChI	InChI=1S/C22H34O5/c1-13(23)27-12-22(26)11-15-16(24)9-17-19(2,3)18(25)6-7-20(17,4)21(15)8-5-14(22)10-21/h14-15,17-18,25-26H,5-12H2,1-4H3/t14-,15+,17-,18+,20-,21-,22+/m0/s1
InChIKey	PNLIPZGEIYQYJH-VAOXKFHESA-N

Species of Metabolite	Component	Source	Comments
Botrytis cinerea (ncbitaxon:40559)	-	PubMed (31880464)

ChEBI Ontology

Outgoing Relation(s)
	Botryotin H (CHEBI:217046) is a diterpenoid (CHEBI:23849)

IUPAC Name
[(1S,2S,5R,7R,10S,12S,13S)-5,12-dihydroxy-2,6,6-trimethyl-9-oxo-12-tetracyclo[11.2.1.01,10.02,7]hexadecanyl]methyl acetate

Manual Xrefs	Databases
81363754	ChemSpider