EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:224752 - Aphidicolin A1

ChEBI IDCHEBI:224752
ChEBI NameAphidicolin A1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H40O6
Net Charge0
Average Mass436.589
Monoisotopic Mass436.28249
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]2C[C@@H](O)[C@@]13C
InChIInChI=1S/C25H40O6/c1-15(26)29-14-25(28)9-8-24-12-17(25)10-16(24)6-7-18-22(4)13-30-21(2,3)31-20(22)11-19(27)23(18,24)5/h16-20,27-28H,6-14H2,1-5H3/t16-,17+,18-,19+,20+,22-,23+,24-,25-/m0/s1
InChIKeyZMLHWLZKCQDODU-UZSINEPRSA-N
Species of MetaboliteComponentSourceComments
Botryotinia (ncbitaxon:40558) - PubMed (31403790)
ChEBI Ontology
Outgoing Relation(s)
Aphidicolin A1 (CHEBI:224752) is a oxa-steroid (CHEBI:50917)
IUPAC Name 
[(1S,2S,3R,5R,10R,11R,14S,16R,17R)-3,17-dihydroxy-2,7,7,10-tetramethyl-6,8-dioxapentacyclo[14.3.1.01,14.02,11.05,10]icosan-17-yl]methyl acetate
Manual XrefsDatabases
78966168ChemSpider