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27-O-demethylrifamycin SV

Properties

Image

Occurences in reactions

MNX_ID

MNXM738051

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	0

formula

C₃₆H₄₄NO₁₂

charge

-1

mass

682.743

reference

chebi:84572

InChIKey

OBIXNJCNRZELPA-FFICIXETSA-M

InChI

InChI=1S/C36H45NO12/c1-15-10-9-11-16(2)35(46)37-22-14-24(40)25-26(31(22)44)30(43)20(6)33-27(25)34(45)36(8,49-33)47-13-12-23(39)17(3)32(48-21(7)38)19(5)29(42)18(4)28(15)41/h9-15,17-19,23,28-29,32,39-44H,1-8H3,(H,37,46)/p-1/b10-9+,13-12+,16-11-/t15-,17+,18+,19+,23-,28-,29+,32+,36-/m0/s1

SMILES

[CH3:1][C@H:15]1/[CH:10]=[CH:9]/[CH:11]=[C:16]([CH3:2])\[C:35]([OH:46])=[N:37]/[c:22]2[cH:14][c:24]([OH:40])[c:25]3[c:26]([c:30]([OH:43])[c:20]([CH3:6])[c:33]4[c:27]3[C:34](=[O:45])[C@@:36]([CH3:8])([O:47]/[CH:13]=[CH:12]/[C@H:23]([OH:39])[C@@H:17]([CH3:3])[C@@H:32]([O:48][C:21]([CH3:7])=[O:38])[C@H:19]([CH3:5])[C@H:29]([OH:42])[C@H:18]([CH3:4])[C@H:28]1[OH:41])[O:49]4)[c:31]2[OH:44]

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Similar chemical compounds in external resources
Identifier	Description
CHEBI:84572 chebi:84572	27-O-demethylrifamycin SV (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-21-(acetyloxy)-6,9,17,19,23-pentahydroxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-5-olate 27-O-demethylrifamycin SV(1-)
seed.compound:cpd10425 seedM:cpd10425	27-O-Demethyl-rifamycin SV 27-O-Demethylrifamycin SV 27-O-demethyl-rifamycin SV
kegg.compound:C14727 keggC:C14727	27-O-Demethylrifamycin SV
metacyc.compound:CPD-10237 metacycM:CPD-10237	27-O-demethyl-rifamycin SV
CHEBI:34311 chebi:34311	27-O-demethylrifamycin SV (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-5,6,9,17,19,23-hexahydroxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate 27-O-Demethyl-rifamycin SV
keggC:M_C14727 seedM:M_cpd10425	secondary/obsolete/fantasy identifier