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descarbamoylnovobiocin

Properties

Image

Occurences in reactions

MNX_ID

MNXM7278

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

formula

C₃₀H₃₄NO₁₀

charge

-1

mass

568.21882

reference

chebi:73955

InChIKey

UZHGFJZFJRMSOS-NANZAVOOSA-M

InChI

InChI=1S/C30H35NO10/c1-14(2)7-8-16-13-17(9-11-19(16)32)27(36)31-21-22(33)18-10-12-20(15(3)25(18)40-28(21)37)39-29-24(35)23(34)26(38-6)30(4,5)41-29/h7,9-13,23-24,26,29,32-35H,8H2,1-6H3,(H,31,36)/p-1/t23-,24+,26+,29+/m0/s1

SMILES

CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc3c([O-])c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:73955 chebi:73955	descarbamoylnovobiocin 7-{[(2R,3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]amino}-8-methyl-2-oxo-2H-chromen-4-olate decarbamoylnovobiocin(1-) descarbamoylnovobiocin(1-)
kegg.compound:C12476 keggC:C12476	Decarbamoylnovobiocin
seed.compound:cpd09219 seedM:cpd09219	Descarbamoylnovobiocin decarbamoylnovobiocin
metacyc.compound:CPD-15419 metacycM:CPD-15419	decarbamoylnovobiocin
CHEBI:31467 chebi:31467	descarbamoylnovobiocin Descarbamoylnovobiocin N-{7-[(6-deoxy-5-methyl-4-O-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 decarbamoylnovobiocin
keggC:M_C12476 seedM:M_cpd09219	secondary/obsolete/fantasy identifier