EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:224854 - Aphidicolin A38

ChEBI IDCHEBI:224854
ChEBI NameAphidicolin A38
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O4
Net Charge0
Average Mass334.456
Monoisotopic Mass334.21441
SMILESC[C@@]1(C=O)[C@@H](O)CC[C@@]2(C)[C@H]1CCC1=C[C@@H]3C[C@@]12CC[C@]3(O)CO
InChIInChI=1S/C20H30O4/c1-17(11-21)15-4-3-13-9-14-10-19(13,7-8-20(14,24)12-22)18(15,2)6-5-16(17)23/h9,11,14-16,22-24H,3-8,10,12H2,1-2H3/t14-,15+,16+,17+,18+,19+,20+/m1/s1
InChIKeyKZRJAXKCOWVRTH-WDCLZLQXSA-N
Species of MetaboliteComponentSourceComments
Botryotinia (ncbitaxon:40558) - PubMed (31403790)
ChEBI Ontology
Outgoing Relation(s)
Aphidicolin A38 (CHEBI:224854) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1S,2S,5S,6S,7R,12S,13R)-5,13-dihydroxy-13-(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadec-10-ene-6-carbaldehyde
Manual XrefsDatabases
78966205ChemSpider