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CHEBI:224840 - Aphidicolin A35

ChEBI IDCHEBI:224840
ChEBI NameAphidicolin A35
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O4
Net Charge0
Average Mass336.472
Monoisotopic Mass336.23006
SMILESC[C@@]1(CO)CCC[C@@]2(C)[C@H]1C[C@@H](O)C1=C[C@@H]3C[C@@]12CC[C@]3(O)CO
InChIInChI=1S/C20H32O4/c1-17(11-21)4-3-5-18(2)16(17)9-15(23)14-8-13-10-19(14,18)6-7-20(13,24)12-22/h8,13,15-16,21-24H,3-7,9-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,20+/m1/s1
InChIKeyRUGLMNSDLLANNJ-IHTGJJIASA-N
Species of MetaboliteComponentSourceComments
Botryotinia (ncbitaxon:40558) - PubMed (31403790)
ChEBI Ontology
Outgoing Relation(s)
Aphidicolin A35 (CHEBI:224840) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1R,2S,6R,7R,9R,12S,13R)-6,13-bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadec-10-ene-9,13-diol
Manual XrefsDatabases
78966202ChemSpider