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CHEBI:224894 - Aphidicolin A45

ChEBI IDCHEBI:224894
ChEBI NameAphidicolin A45
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O4
Net Charge0
Average Mass336.472
Monoisotopic Mass336.23006
SMILESC[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H]1CC=C1[C@H](O)[C@@H]3C[C@@]12CC[C@@]3(C)O
InChIInChI=1S/C20H32O4/c1-17(11-21)14-5-4-12-16(23)13-10-20(12,9-8-19(13,3)24)18(14,2)7-6-15(17)22/h4,13-16,21-24H,5-11H2,1-3H3/t13-,14-,15+,16-,17-,18-,19+,20-/m0/s1
InChIKeyGHVFAOYRFNOZIJ-HUJIKHNRSA-N
Species of MetaboliteComponentSourceComments
Botryotinia (ncbitaxon:40558) - PubMed (31403790)
ChEBI Ontology
Outgoing Relation(s)
Aphidicolin A45 (CHEBI:224894) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1R,2S,5R,6R,7R,11R,12S,13R)-6-(hydroxymethyl)-2,6,13-trimethyltetracyclo[10.3.1.01,10.02,7]hexadec-9-ene-5,11,13-triol
Manual XrefsDatabases
78966212ChemSpider