Desmethyldescarbamoylnovobiocin

Molecular Formula: C29H33NO10


InChI: InChI=1/C29H33NO10/c1-13(2)6-7-15-12-16(8-10-18(15)31)26(36)30-20-21(32)17-9-11-19(14(3)24(17)39-27(20)37)38-28-23(34)22(33)25(35)29(4,5)40-28/h6,8-12,22-23,25,28,31,33-35,37H,7H2,1-5H3,(H,30,36)/t22-,23+,25+,28+/m0/s1/f/h30H

InChIKey: InChIKey=UTOSBJRLJDTPTA-NZVRVUMGDH
SMILES: CC1=C(C=CC2=C1OC(=C(C2=O)NC(=O)C3=CC(=C(C=C3)O)CC=C(C)C)O)OC4C(C(C(C(O4)(C)C)O)O)O

Names:
    C12475
    Desmethyldescarbamoylnovobiocin
    4-hydroxy-N-[2-hydroxy-8-methyl-4-oxo-7-[(2S,3R,4S,5R)-3,4,5-trihydroxy-6,6-dimethyl-oxan-2-yl]oxy-chromen-3-yl]-3-(3-methylbut-2-enyl)benzamide

Registries:
    PubChem CID 443859
    PubChem ID 582865