aurachin A
Chemical Formula:
C25H33NO3
Molecular Weight:
395.541 Daltons
Monoisotopic Mass:
396.2538689629 Daltons
SMILES:
CC(C)=CCCC(C)=CCCC(O)(C)[CH]3(CC2(C1(=CC=CC=C1[N+](=C(C)C=2O3)[O-])))
InChI:
1S/C25H33NO3/c1-17(2)10-8-11-18(3)12-9-15-25(5,27)23-16-21-20-13-6-7-14-22(20)26(28)19(4)24(21)29-23/h6-7,10,12-14,23,27H,8-9,11,15-16H2,1-5H3/b18-12+/t23-,25+/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-15911
PubChem (CID):
90658020
ChEBI:
90924
MetaNetX:
MNXM148954
KEGG:
C21875