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CHEBI:190062 - 14alpha-Hydroxy-4beta-deoxypaxilline

ChEBI IDCHEBI:190062
ChEBI Name14alpha-Hydroxy-4beta-deoxypaxilline
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H33NO4
Net Charge0
Average Mass435.564
Monoisotopic Mass435.24096
SMILESCC(C)(O)C1OC2(O)CCC3(C)C(CCC4Cc5c(nc6ccccc56)C43C)C2=CC1=O
InChIInChI=1S/C27H33NO4/c1-24(2,30)23-21(29)14-19-18-10-9-15-13-17-16-7-5-6-8-20(16)28-22(17)26(15,4)25(18,3)11-12-27(19,31)32-23/h5-8,14-15,18,23,28,30-31H,9-13H2,1-4H3
InChIKeyJFVYPWSFDLYZKB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708) flower (BTO:0000469) MetaboLights (MTBLS3950)
ChEBI Ontology
Outgoing Relation(s)
14alpha-Hydroxy-4beta-deoxypaxilline (CHEBI:190062) is a organic heterotricyclic compound (CHEBI:26979)
14alpha-Hydroxy-4beta-deoxypaxilline (CHEBI:190062) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
5-hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-9,16(24),17,19,21-pentaen-8-one
Manual XrefsDatabases
HMDB0040979HMDB
35015062ChemSpider