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CHEBI:204170 - (2R,4bS,6aS,12bS,12cR,14aS)-2'-hydroxypaxilline

ChEBI IDCHEBI:204170
ChEBI Name(2R,4bS,6aS,12bS,12cR,14aS)-2'-hydroxypaxilline
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H33NO5
Net Charge0
Average Mass451.563
Monoisotopic Mass451.23587
SMILESCC(O)(CO)[C@H]1O[C@H]2CC[C@@]3(C)[C@@](O)(CC[C@H]4Cc5c(nc6ccccc56)[C@@]43C)C2=CC1=O
InChIInChI=1S/C27H33NO5/c1-24(31,14-29)23-20(30)13-18-21(33-23)9-10-25(2)26(3)15(8-11-27(18,25)32)12-17-16-6-4-5-7-19(16)28-22(17)26/h4-7,13,15,21,23,28-29,31-32H,8-12,14H2,1-3H3/t15-,21-,23-,24?,25+,26+,27+/m0/s1
InChIKeyYCXQGKDLXRHABX-SUWUUCHZSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (23886345)
ChEBI Ontology
Outgoing Relation(s)
(2R,4bS,6aS,12bS,12cR,14aS)-2'-hydroxypaxilline (CHEBI:204170) is a organic heterotricyclic compound (CHEBI:26979)
(2R,4bS,6aS,12bS,12cR,14aS)-2'-hydroxypaxilline (CHEBI:204170) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,2R,5S,7R,11S,14S)-7-(1,2-dihydroxypropan-2-yl)-11-hydroxy-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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