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:

NMCFFEJWADWZTI-UHFFFAOYSA-M

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