CHEBI:224792 - Aphidicolin A27

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 A27
ChEBI ID CHEBI:224792
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H32O5
Net Charge 0
Average Mass 352.471
Monoisotopic Mass 352.22497
InChI InChI=1S/C20H32O5/c1-17(10-21)14-4-3-12-7-13-8-20(12,16(24)9-19(13,25)11-22)18(14,2)6-5-15(17)23/h7,13-16,21-25H,3-6,8-11H2,1-2H3/t13-,14+,15-,16+,17+,18+,19+,20+/m1/s1
InChIKey GQYCEVDLCYZRSU-PTHYOWMMSA-N
SMILES O[C@]1([C@@H]2C=C3CC[C@@H]4[C@@]([C@]3(C2)[C@H](C1)O)(CC[C@H]([C@]4(CO)C)O)C)CO
Metabolite of Species Details
Botryotinia (NCBI:txid40558) See: PubMed
ChEBI Ontology
Outgoing Aphidicolin A27 (CHEBI:224792) is a diterpenoid (CHEBI:23849)
IUPAC Name
(1R,2S,5R,6R,7R,12S,13R,15S)-6,13-bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadec-10-ene-5,13,15-triol
Manual Xref Database
78966194 ChemSpider
View more database links