CHEBI:225049 - Aphidicolin A9

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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 A9
ChEBI ID CHEBI:225049
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H30O5
Net Charge 0
Average Mass 350.455
Monoisotopic Mass 350.20932
InChI InChI=1S/C20H30O5/c1-17(10-21)15(24)3-4-18(2)16(17)14(23)8-12-7-13-9-19(12,18)5-6-20(13,25)11-22/h12-13,16,21-22,25H,3-11H2,1-2H3/t12-,13-,16+,17-,18+,19+,20+/m1/s1
InChIKey PHUJFVLOMOUZRH-QDYQMBSHSA-N
SMILES O=C1[C@]([C@@H]2C(=O)C[C@H]3C[C@@H]4C[C@@]3([C@@]2(C)CC1)CC[C@]4(O)CO)(CO)C
Metabolite of Species Details
Botryotinia (NCBI:txid40558) See: PubMed
ChEBI Ontology
Outgoing Aphidicolin A9 (CHEBI:225049) is a diterpenoid (CHEBI:23849)
IUPAC Name
(1S,2S,6R,7R,10R,12R,13R)-13-hydroxy-6,13-bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadecane-5,8-dione
Manual Xref Database
78966176 ChemSpider
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