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CHEBI:224317 - 7-methoxypaxilline

ChEBI IDCHEBI:224317
ChEBI Name7-methoxypaxilline
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H35NO5
Net Charge0
Average Mass465.590
Monoisotopic Mass465.25152
SMILESCO[C@]12CC[C@@]3(C)[C@@](O)(CC[C@H]4Cc5c(nc6ccccc56)[C@@]43C)C1=CC(=O)[C@@H](C(C)(C)O)O2
InChIInChI=1S/C28H35NO5/c1-24(2,31)23-20(30)15-21-27(32)11-10-16-14-18-17-8-6-7-9-19(17)29-22(18)26(16,4)25(27,3)12-13-28(21,33-5)34-23/h6-9,15-16,23,29,31-32H,10-14H2,1-5H3/t16-,23-,25+,26+,27+,28-/m0/s1
InChIKeyBTLNUERHGGHXJF-OHPGCOBXSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (31117519)
ChEBI Ontology
Outgoing Relation(s)
7-methoxypaxilline (CHEBI:224317) is a organic heterotricyclic compound (CHEBI:26979)
7-methoxypaxilline (CHEBI:224317) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,2R,5S,7R,11S,14S)-11-hydroxy-7-(2-hydroxypropan-2-yl)-5-methoxy-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
128442792ChemSpider