paspalinine
Chemical Formula:
C27H31NO4
Molecular Weight:
433.546 Daltons
Monoisotopic Mass:
433.22530848869997 Daltons
SMILES:
CC1(C)(OC23(OC1C(=O)C=C2C4(O)(C(C)(CC3)C5(C)([CH](CC4)CC6(=C5NC7(=C6C=CC=C7))))))
InChI:
1S/C27H31NO4/c1-23(2)22-19(29)14-20-26(30)10-9-15-13-17-16-7-5-6-8-18(16)28-21(17)25(15,4)24(26,3)11-12-27(20,31-22)32-23/h5-8,14-15,22,28,30H,9-13H2,1-4H3/t15-,22-,24+,25+,26+,27-/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-16962
PubChem (CID):
9867531
KEGG:
C20554
MetaNetX:
MNXM147265
ChEBI:
138862