demethyldecarbamoyl novobiocin
Chemical Formula:
C29H32NO10
Molecular Weight:
554.572 Daltons
Monoisotopic Mass:
555.2104462855 Daltons
SMILES:
CC(C)=CCC1(C(O)=CC=C(C=1)C(NC2(C(=O)OC4(=C(C([O-])=2)C=CC(OC3(OC(C)(C)C(O)C(O)C(O)3))=C(C)4)))=O)
InChI:
1S/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/h6,8-12,22-23,25,28,31-35H,7H2,1-5H3,(H,30,36)/p-1/t22-,23+,25+,28+/m0/s1
InChIKey:
Synonyms
- N-{7-[(6-deoxy-5-methyl-?-D-gulopyranosyl)oxy]-4-hydroxy-8-methyl-2-oxo-2H-chromen-3-yl}-4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamide
Databases
MetaCyc:
CPD-15420
PubChem (CID):
71581087
ChEBI:
73957
Seed:
cpd09218
MetaNetX:
MNXM7279
KEGG:
C12475
3DMET:
B04649