CHEBI:224743 - Aphidicolin A18

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 A18
ChEBI ID CHEBI:224743
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H34O5
Net Charge 0
Average Mass 354.487
Monoisotopic Mass 354.24062
InChI InChI=1S/C20H34O5/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/h12-16,21-25H,3-11H2,1-2H3/t12-,13+,14-,15+,16-,17-,18-,19-,20-/m0/s1
InChIKey VEELXDNFXXZEBF-DIJFDWDISA-N
SMILES O[C@]1([C@H]2C[C@@]3([C@@]4([C@H]([C@@]([C@H](O)CC4)(CO)C)CC[C@H]3C2)C)[C@H](C1)O)CO
Metabolite of Species Details
Botryotinia (NCBI:txid40558) See: PubMed
ChEBI Ontology
Outgoing Aphidicolin A18 (CHEBI:224743) is a diterpenoid (CHEBI:23849)
IUPAC Name
(1R,2S,5R,6R,7R,10S,12R,13R,15S)-6,13-bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadecane-5,13,15-triol
Manual Xref Database
78966185 ChemSpider
View more database links