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CHEBI:224971 - Aphidicolin A5

ChEBI IDCHEBI:224971
ChEBI NameAphidicolin A5
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H36O6
Net Charge0
Average Mass408.535
Monoisotopic Mass408.25119
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)C(=O)O)O1
InChIInChI=1S/C23H36O6/c1-19(2)28-12-20(3)16(29-19)5-6-21(4)17(20)15(24)10-13-9-14-11-22(13,21)7-8-23(14,27)18(25)26/h13-17,24,27H,5-12H2,1-4H3,(H,25,26)/t13-,14-,15-,16-,17+,20-,21+,22+,23-/m1/s1
InChIKeyRKMRSQSFKYWOEK-MBGIZLOWSA-N
Species of MetaboliteComponentSourceComments
Botryotinia (ncbitaxon:40558) - PubMed (31403790)
ChEBI Ontology
Outgoing Relation(s)
Aphidicolin A5 (CHEBI:224971) is a oxa-steroid (CHEBI:50917)
IUPAC Name 
(1S,2S,5R,10R,11R,12R,14R,16R,17R)-12,17-dihydroxy-2,7,7,10-tetramethyl-6,8-dioxapentacyclo[14.3.1.01,14.02,11.05,10]icosane-17-carboxylic acid
Manual XrefsDatabases
78966172ChemSpider