CHEBI:224768 - Aphidicolin A22

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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 Aphidicolin A22
ChEBI ID CHEBI:224768
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H32O4
Net Charge 0
Average Mass 336.472
Monoisotopic Mass 336.23006
InChI InChI=1S/C20H32O4/c1-17(11-21)15-4-3-13-9-14-10-19(13,7-8-20(14,24)12-22)18(15,2)6-5-16(17)23/h9,14-16,21-24H,3-8,10-12H2,1-2H3/t14-,15+,16-,17+,18+,19+,20+/m1/s1
InChIKey OKMFPXZJFUMMEY-SXWOMNNJSA-N
SMILES O[C@]1([C@@H]2C=C3CC[C@@H]4[C@@]([C@]3(C2)CC1)(CC[C@H]([C@]4(CO)C)O)C)CO
Metabolite of Species Details
Botryotinia (NCBI:txid40558) See: PubMed
ChEBI Ontology
Outgoing Aphidicolin A22 (CHEBI:224768) is a diterpenoid (CHEBI:23849)
IUPAC Name
(1S,2S,5R,6R,7R,12S,13R)-6,13-bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadec-10-ene-5,13-diol
Manual Xref Database
78966189 ChemSpider
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