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CHEBI:203982 - 7a-Hydroxy-13-desoxypaxilline

ChEBI IDCHEBI:203982
ChEBI Name7a-Hydroxy-13-desoxypaxilline
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H33NO4
Net Charge0
Average Mass435.564
Monoisotopic Mass435.24096
SMILESCC(C)(O)[C@H]1O[C@@]2(O)CC[C@@]3(C)[C@@H](CC[C@H]4Cc5c(nc6ccccc56)[C@@]43C)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/t15-,18-,23-,25-,26+,27-/m0/s1
InChIKeyJFVYPWSFDLYZKB-XTHGXZEWSA-N
Species of MetaboliteComponentSourceComments
Penicillium paxilli (ncbitaxon:70109) - DOI (10.1016/s0031-9422(00)89639-9)
ChEBI Ontology
Outgoing Relation(s)
7a-Hydroxy-13-desoxypaxilline (CHEBI:203982) is a organic heterotricyclic compound (CHEBI:26979)
7a-Hydroxy-13-desoxypaxilline (CHEBI:203982) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,2S,5S,7R,11R,14S)-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
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