8-demethylnovobiocic acid

Chemical Formula:

C₂₁H₁₈NO₆

Molecular Weight:

380.376 Daltons

Monoisotopic Mass:

381.1212373477 Daltons

SMILES:

CC(C)=CCC1(C(O)=CC=C(C=1)C(NC2(C(=O)OC3(=C(C([O-])=2)C=CC(O)=C3)))=O)

InChI:

1S/C21H19NO6/c1-11(2)3-4-12-9-13(5-8-16(12)24)20(26)22-18-19(25)15-7-6-14(23)10-17(15)28-21(18)27/h3,5-10,23-25H,4H2,1-2H3,(H,22,26)/p-1

InChIKey:

HVPRXGNWCQFXRR-UHFFFAOYSA-M

Databases

MetaCyc: CPD-15416

PubChem (CID): 71581083

ChEBI: 73954

MetaNetX: MNXM145701

KEGG: C20629