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CHEBI:227780 - Pyristriatin B

ChEBI IDCHEBI:227780
ChEBI NamePyristriatin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H35NO5
Net Charge0
Average Mass441.568
Monoisotopic Mass441.25152
SMILESCO[C@H]1O[C@H]2c3c(cnc(C(=O)CO)c31)C[C@H](O)[C@@H]1C3=C(C(C)C)CC[C@]3(C)CC[C@@]21C
InChIInChI=1S/C26H35NO5/c1-13(2)15-6-7-25(3)8-9-26(4)21(20(15)25)16(29)10-14-11-27-22(17(30)12-28)19-18(14)23(26)32-24(19)31-5/h11,13,16,21,23-24,28-29H,6-10,12H2,1-5H3/t16-,21+,23-,24-,25+,26+/m0/s1
InChIKeyGOSSDHHYVCWSCT-IHMRMOLWSA-N
Species of MetaboliteComponentSourceComments
Cyathus (ncbitaxon:68776) - PubMed (27231731)
ChEBI Ontology
Outgoing Relation(s)
Pyristriatin B (CHEBI:227780) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
2-hydroxy-1-[(1R,2R,5R,10R,11S,18S)-11-hydroxy-18-methoxy-2,5-dimethyl-8-propan-2-yl-19-oxa-15-azapentacyclo[11.6.1.02,10.05,9.017,20]icosa-8,13,15,17(20)-tetraen-16-yl]ethanone
Manual XrefsDatabases
76791812ChemSpider