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CHEBI:224864 - Aphidicolin A3

ChEBI IDCHEBI:224864
ChEBI NameAphidicolin A3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H36O5
Net Charge0
Average Mass392.536
Monoisotopic Mass392.25627
SMILESCC1(C)OC[C@]2(C)[C@@H](CC[C@@]3(C)[C@H]2C(=O)C[C@H]2C[C@@H]4C[C@@]23CC[C@]4(O)CO)O1
InChIInChI=1S/C23H36O5/c1-19(2)27-13-20(3)17(28-19)5-6-21(4)18(20)16(25)10-14-9-15-11-22(14,21)7-8-23(15,26)12-24/h14-15,17-18,24,26H,5-13H2,1-4H3/t14-,15-,17-,18+,20-,21+,22+,23+/m1/s1
InChIKeyBFMJDQAEEZUQAJ-IOIRKEDYSA-N
Species of MetaboliteComponentSourceComments
Botryotinia (ncbitaxon:40558) - PubMed (31403790)
ChEBI Ontology
Outgoing Relation(s)
Aphidicolin A3 (CHEBI:224864) is a 11-oxo steroid (CHEBI:47787)
IUPAC Name 
(1S,2S,5R,10R,11R,14R,16R,17R)-17-hydroxy-17-(hydroxymethyl)-2,7,7,10-tetramethyl-6,8-dioxapentacyclo[14.3.1.01,14.02,11.05,10]icosan-12-one
Manual XrefsDatabases
78966170ChemSpider