demethyllactenocin
Chemical Formula:
C37H62NO14
Molecular Weight:
744.895 Daltons
Monoisotopic Mass:
744.4170307047999 Daltons
SMILES:
CCC1(C(C=C(C)C=CC(=O)C(C)CC(CC=O)C(C(C)C(O)CC(=O)O1)OC2(OC(C)C(O)C([N+](C)C)C(O)2))COC3(OC(C(O)C(O)C(O)3)C))
InChI:
1S/C37H61NO14/c1-9-27-24(17-48-36-34(47)33(46)31(44)22(6)49-36)14-18(2)10-11-25(40)19(3)15-23(12-13-39)35(20(4)26(41)16-28(42)51-27)52-37-32(45)29(38(7)8)30(43)21(5)50-37/h10-11,13-14,19-24,26-27,29-37,41,43-47H,9,12,15-17H2,1-8H3/p+1/b11-10+,18-14+/t19-,20+,21-,22-,23+,24-,26-,27-,29+,30-,31-,32-,33-,34-,35-,36-,37+/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-15943
ChEBI:
76810
PubChem (CID):
72715789
KEGG:
C12003
Seed:
cpd08800
MetaNetX:
MNXM6235