CHEBI:225000 - Aphidicolin A65

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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 A65
ChEBI ID CHEBI:225000
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H34O5
Net Charge 0
Average Mass 366.498
Monoisotopic Mass 366.24062
InChI InChI=1S/C21H34O5/c1-13(22)26-12-21(25)9-8-20-11-15(21)10-14(20)4-5-16-18(20,2)7-6-17(23)19(16,3)24/h14-17,23-25H,4-12H2,1-3H3/t14-,15+,16+,17+,18-,19-,20-,21-/m0/s1
InChIKey XEMFUWNKYXGJQS-KQBFAJRKSA-N
SMILES O=C(OC[C@]1(O)[C@H]2C[C@@]3([C@@]4([C@H]([C@](O)([C@H](O)CC4)C)CC[C@H]3C2)C)CC1)C
Metabolite of Species Details
Botryotinia (NCBI:txid40558) See: PubMed
ChEBI Ontology
Outgoing Aphidicolin A65 (CHEBI:225000) is a diterpenoid (CHEBI:23849)
IUPAC Name
[(1S,2S,5R,6S,7R,10S,12R,13R)-5,6,13-trihydroxy-2,6-dimethyl-13-tetracyclo[10.3.1.01,10.02,7]hexadecanyl]methyl acetate
Manual Xref Database
78966232 ChemSpider
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