CHEBI:224759 - Aphidicolin A20

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 A20
ChEBI ID CHEBI:224759
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H36O6
Net Charge 0
Average Mass 396.524
Monoisotopic Mass 396.25119
InChI InChI=1S/C22H36O6/c1-13(24)28-12-22(27)7-6-21-10-15(22)8-14(21)4-5-16-19(2,11-23)17(25)9-18(26)20(16,21)3/h14-18,23,25-27H,4-12H2,1-3H3/t14-,15+,16-,17+,18+,19-,20+,21-,22-/m0/s1
InChIKey LAIHSBAQZMTLQU-XYHSRBMCSA-N
SMILES O=C(OC[C@]1(O)[C@H]2C[C@@]3([C@]4([C@H](O)C[C@@H](O)[C@]([C@@H]4CC[C@H]3C2)(CO)C)C)CC1)C
Metabolite of Species Details
Botryotinia (NCBI:txid40558) See: PubMed
ChEBI Ontology
Outgoing Aphidicolin A20 (CHEBI:224759) is a diterpenoid (CHEBI:23849)
IUPAC Name
[(1S,2S,3R,5R,6R,7R,10S,12R,13R)-3,5,13-trihydroxy-6-(hydroxymethyl)-2,6-dimethyl-13-tetracyclo[10.3.1.01,10.02,7]hexadecanyl]methyl acetate
Manual Xref Database
78966187 ChemSpider
View more database links