CHEBI:217046 - Botryotin H

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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 H
ChEBI ID CHEBI:217046
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H34O5
Net Charge 0
Average Mass 378.509
Monoisotopic Mass 378.24062
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
SMILES O=C1[C@@H]2[C@@]3([C@]4(CC[C@H](C([C@@H]4C1)(C)C)O)C)C[C@@H]([C@](C2)(O)COC(=O)C)CC3
Metabolite of Species Details
Botrytis cinerea (NCBI:txid40559) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
81363754 ChemSpider
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