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CHEBI:187070 - Dehydroxypaxilline

ChEBI IDCHEBI:187070
ChEBI NameDehydroxypaxilline
Stars
Last Modified8 July 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H33NO3
Net Charge0
Average Mass419.565
Monoisotopic Mass419.24604
SMILES[H][C@@]12CC[C@@]3([H])C4=CC(=O)[C@@]([H])(C(C)(C)O)O[C@@]4([H])CC[C@]3(C)[C@@]1(C)c1nc3ccccc3c1C2
InChIInChI=1S/C27H33NO3/c1-25(2,30)24-21(29)14-18-19-10-9-15-13-17-16-7-5-6-8-20(16)28-23(17)27(15,4)26(19,3)12-11-22(18)31-24/h5-8,14-15,19,22,24,28,30H,9-13H2,1-4H3/t15-,19-,22-,24-,26-,27+/m0/s1
InChIKeyGYSZYWSJZCKCBD-LXGUAGHKSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Dehydroxypaxilline (CHEBI:187070) is a organic heterotricyclic compound (CHEBI:26979)
Dehydroxypaxilline (CHEBI:187070) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,2S,5S,7R,11R,14S)-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
UniProt Name  Source
13-desoxypaxillineUniProt
Manual XrefsDatabases
C20531KEGG COMPOUND
10270586ChemSpider