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27-O-demethylrifamycin SV

MNXM5493 is deprecated and here replaced by MNXM738051
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM738051 Image of MNXM738051
referencechebi:84572
formulaC36H44NO12
global charge-1
mol weight682.743
InChIKeyOBIXNJCNRZELPA-FFICIXETSA-M
InChIInChI=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
SMILESCC(=O)O[C@H]1[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)NC2=C(O)C3=C(C(O)=C2)C2=C(O[C@](C)(O/C=C/[C@H](O)[C@H]1C)C2=O)C(C)=C3[O-]
MNX internals
InChI (mnx)InChI=1/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)/b10-9+,13-12+,16-11-/t15-,17+,18+,19+,23-,28-,29+,32+,36-/m0/s1 Image of MNXM738051
SMILES (mnx)[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=[C:31]([OH:44])[C:26]3=[C:30]([OH:43])[C:20]([CH3:6])=[C:33]4[C:27](=[C:25]3[C:24]([OH:40])=[CH:14]2)[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
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:84572
chebi:84572
OBIXNJCNRZELPA-FFICIXETSA-M 		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
OBIXNJCNRZELPA-FFICIXETSA-N 		27-O-Demethyl-rifamycin SV
27-O-Demethylrifamycin SV
27-O-demethyl-rifamycin SV

kegg.compound:C14727
keggC:C14727
OBIXNJCNRZELPA-KAZKCIAPSA-N 		27-O-Demethylrifamycin SV

metacyc.compound:CPD-10237
metacycM:CPD-10237
OBIXNJCNRZELPA-FFICIXETSA-N 		27-O-demethyl-rifamycin SV

CHEBI:34311
chebi:34311
OBIXNJCNRZELPA-FFICIXETSA-N 		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