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CHEBI:224808 - Aphidicolin A2

ChEBI IDCHEBI:224808
ChEBI NameAphidicolin A2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H40O5
Net Charge0
Average Mass420.590
Monoisotopic Mass420.28757
SMILESCC(=O)OC[C@@]1(O)CC[C@]23C[C@H]1C[C@@H]2CC[C@H]1[C@]2(C)COC(C)(C)O[C@@H]2CC[C@@]13C
InChIInChI=1S/C25H40O5/c1-16(26)28-15-25(27)11-10-24-13-18(25)12-17(24)6-7-19-22(4)14-29-21(2,3)30-20(22)8-9-23(19,24)5/h17-20,27H,6-15H2,1-5H3/t17-,18+,19-,20+,22-,23-,24-,25-/m0/s1
InChIKeyWTLPSBZUQMYRGQ-WEXNTJFTSA-N
Species of MetaboliteComponentSourceComments
Botryotinia (ncbitaxon:40558) - PubMed (31403790)
ChEBI Ontology
Outgoing Relation(s)
Aphidicolin A2 (CHEBI:224808) is a oxa-steroid (CHEBI:50917)
IUPAC Name 
[(1S,2S,5R,10R,11R,14S,16R,17R)-17-hydroxy-2,7,7,10-tetramethyl-6,8-dioxapentacyclo[14.3.1.01,14.02,11.05,10]icosan-17-yl]methyl acetate
Manual XrefsDatabases
78966169ChemSpider