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CHEBI:217180 - 7a-Hydroxypaxilline

ChEBI IDCHEBI:217180
ChEBI Name7a-Hydroxypaxilline
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H33NO5
Net Charge0
Average Mass451.563
Monoisotopic Mass451.23587
SMILESCC(C)(O)[C@H]1O[C@@]2(O)CC[C@@]3(C)[C@@](O)(CC[C@H]4Cc5c(nc6ccccc56)[C@@]43C)C2=CC1=O
InChIInChI=1S/C27H33NO5/c1-23(2,30)22-19(29)14-20-26(31)10-9-15-13-17-16-7-5-6-8-18(16)28-21(17)25(15,4)24(26,3)11-12-27(20,32)33-22/h5-8,14-15,22,28,30-32H,9-13H2,1-4H3/t15-,22-,24+,25+,26+,27-/m0/s1
InChIKeyROIDNUNHRGMTMG-SAMRHTEJSA-N
Species of MetaboliteComponentSourceComments
Penicillium paxilli (ncbitaxon:70109) - DOI (10.1016/s0031-9422(00)89639-9)
ChEBI Ontology
Outgoing Relation(s)
7a-Hydroxypaxilline (CHEBI:217180) is a organic heterotricyclic compound (CHEBI:26979)
7a-Hydroxypaxilline (CHEBI:217180) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,2R,5S,7R,11S,14S)-5,11-dihydroxy-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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