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desmethyldescarbamoylnovobiocin

Properties

Image

Occurences in reactions

MNX_ID

MNXM7279

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₂₉H₃₂NO₁₀

charge

-1

mass

554.20317

reference

chebi:73957

InChIKey

ZCIRPBAEIIAERP-ZJTSJXPUSA-M

InChI

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

SMILES

CC(C)=CCc1cc(C(=O)Nc2c([O-])c3ccc(O[C@@H]4OC(C)(C)[C@H](O)[C@@H](O)[C@H]4O)c(C)c3oc2=O)ccc1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:73957 chebi:73957	desmethyldescarbamoylnovobiocin 3-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]amino}-8-methyl-2-oxo-7-{[(2R,3R,4R,5R)-3,4,5-trihydroxy-6,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-2H-chromen-4-olate demethyldecarbamoylnovobiocin(1-) desmethyldescarbamoylnovobiocin(1-)
kegg.compound:C12475 keggC:C12475	Demethyldecarbamoylnovobiocin
sabiork.compound:14507 sabiorkM:14507	Desmethyldescarbamoylnovobiocin
seed.compound:cpd09218 seedM:cpd09218	Desmethyldescarbamoylnovobiocin 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 demethyldecarbamoyl novobiocin
metacyc.compound:CPD-15420 metacycM:CPD-15420	demethyldecarbamoyl novobiocin 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
CHEBI:31469 chebi:31469	desmethyldescarbamoylnovobiocin Desmethyldescarbamoylnovobiocin N-{7-[(6-deoxy-5-methyl-beta-D-gulopyranosyl)oxy]-4-hydroxy-8-methyl-2-oxo-2H-chromen-3-yl}-4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamide demethyldecarbamoylnovobiocin
keggC:M_C12475 seedM:M_cpd09218	secondary/obsolete/fantasy identifier