novobiocin
Chemical Formula:
C31H35N2O11
Molecular Weight:
611.624 Daltons
Monoisotopic Mass:
612.2319100091 Daltons
SMILES:
CC(C)=CCC1(C(O)=CC=C(C=1)C(NC2(C(=O)OC4(=C(C([O-])=2)C=CC(OC3(OC(C)(C)C(OC)C(OC(N)=O)C(O)3))=C(C)4)))=O)
InChI:
1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/p-1/t23-,25+,26-,29-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-15417
PubChem (CID):
15940185
ChEBI:
71339
Seed:
cpd03032
HMDB:
HMDB15185
MetaNetX:
MNXM65002
KEGG:
C05080