clorobiocic acid
Chemical Formula:
C21H17NO6CL
Molecular Weight:
414.821 Daltons
Monoisotopic Mass:
415.0822650256 Daltons
SMILES:
CC(C)=CCC1(C(O)=CC=C(C=1)C(NC2(C(=O)OC3(=C(C([O-])=2)C=CC(O)=C(Cl)3)))=O)
InChI:
1S/C21H18ClNO6/c1-10(2)3-4-11-9-12(5-7-14(11)24)20(27)23-17-18(26)13-6-8-15(25)16(22)19(13)29-21(17)28/h3,5-9,24-26H,4H2,1-2H3,(H,23,27)/p-1
InChIKey:
Databases
MetaCyc:
CPD-15512
PubChem (CID):
90658024
Seed:
cpd09214
ChEBI:
31395
MetaNetX:
MNXM6208
KEGG:
C12471