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CHEBI:224917 - Aphidicolin A4

ChEBI IDCHEBI:224917
ChEBI NameAphidicolin A4
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H38O5
Net Charge0
Average Mass394.552
Monoisotopic Mass394.27192
SMILESCC1(C)OC[C@]2(C)[C@@H](CC[C@@]3(C)[C@H]2[C@@H](O)C[C@H]2C[C@@H]4C[C@@]23CC[C@]4(O)CO)O1
InChIInChI=1S/C23H38O5/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/h14-18,24-26H,5-13H2,1-4H3/t14-,15-,16+,17-,18+,20-,21+,22+,23+/m1/s1
InChIKeyJGIRWYHXRIYAAU-ZFAVEXGOSA-N
Species of MetaboliteComponentSourceComments
Botryotinia (ncbitaxon:40558) - PubMed (31403790)
ChEBI Ontology
Outgoing Relation(s)
Aphidicolin A4 (CHEBI:224917) is a oxa-steroid (CHEBI:50917)
IUPAC Name 
(1S,2S,5R,10R,11R,12S,14R,16R,17R)-17-(hydroxymethyl)-2,7,7,10-tetramethyl-6,8-dioxapentacyclo[14.3.1.01,14.02,11.05,10]icosane-12,17-diol
Manual XrefsDatabases
78966171ChemSpider