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CHEBI:225021 - Aphidicolin A6

ChEBI IDCHEBI:225021
ChEBI NameAphidicolin A6
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]2CC=C2[C@H](O)[C@@H]4C[C@@]23CC[C@]4(O)CO)O1
InChIInChI=1S/C23H36O5/c1-19(2)27-13-20(3)16-6-5-14-18(25)15-11-22(14,9-10-23(15,26)12-24)21(16,4)8-7-17(20)28-19/h5,15-18,24-26H,6-13H2,1-4H3/t15-,16-,17+,18-,20-,21-,22-,23-/m0/s1
InChIKeyNHENUBLRIYVVBQ-QZUYBKCWSA-N
Species of MetaboliteComponentSourceComments
Botryotinia (ncbitaxon:40558) - PubMed (31403790)
ChEBI Ontology
Outgoing Relation(s)
Aphidicolin A6 (CHEBI:225021) is a oxa-steroid (CHEBI:50917)
IUPAC Name 
(1R,2S,5R,10R,11R,15R,16S,17R)-17-(hydroxymethyl)-2,7,7,10-tetramethyl-6,8-dioxapentacyclo[14.3.1.01,14.02,11.05,10]icos-13-ene-15,17-diol
Manual XrefsDatabases
78966173ChemSpider