novobiocic acid
Chemical Formula:
C22H20NO6
Molecular Weight:
394.403 Daltons
Monoisotopic Mass:
395.1368874119 Daltons
SMILES:
CC(C)=CCC1(C(O)=CC=C(C=1)C(NC2(C(=O)OC3(=C(C([O-])=2)C=CC(O)=C(C)3)))=O)
InChI:
1S/C22H21NO6/c1-11(2)4-5-13-10-14(6-8-17(13)25)21(27)23-18-19(26)15-7-9-16(24)12(3)20(15)29-22(18)28/h4,6-10,24-26H,5H2,1-3H3,(H,23,27)/p-1
InChIKey:
Synonyms
- N-(2,7-dihydroxy-8-methyl-4-oxo-4H-chromen-3-yl)-4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamide
Databases
MetaCyc:
CPD-15415
PubChem (CID):
71581126
ChEBI:
73953
Seed:
cpd09217
MetaNetX:
MNXM7599
KEGG:
C12474
3DMET:
B04648