paxilline
Chemical Formula:
C27H33NO4
Molecular Weight:
435.562 Daltons
Monoisotopic Mass:
435.2409585529 Daltons
SMILES:
CC(O)(C)[CH]1(O[CH]2(C(=CC(=O)1)C3(O)(C(C)(CC2)C4(C)([CH](CC3)CC5(=C4NC6(=C5C=CC=C6))))))
InChI:
1S/C27H33NO4/c1-24(2,30)23-20(29)14-18-21(32-23)10-11-25(3)26(4)15(9-12-27(18,25)31)13-17-16-7-5-6-8-19(16)28-22(17)26/h5-8,14-15,21,23,28,30-31H,9-13H2,1-4H3/t15-,21-,23-,25+,26+,27+/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-16744
RefMet:
Paxilline
ChEBI:
34907
HMDB:
HMDB30323
Wikipedia:
Paxilline
ChemSpider:
94753
KEGG:
C13782
PubChem (CID):
105008
Seed:
cpd09605
MetaNetX:
MNXM68989