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Rifamycin W

MNXM3354 is deprecated and here replaced by MNXM734367
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM734367 Image of MNXM734367
referencechebi:32099
formulaC35H45NO11
global charge0
mol weight655.741
InChIKeyPHKOJKSYBBXXED-OCENJLCRSA-N
InChIInChI=1S/C35H45NO11/c1-14-9-8-10-15(2)35(47)36-22-12-23(38)24-25(32(44)20(7)33(45)26(24)34(22)46)28(40)16(3)11-21(13-37)31(43)19(6)30(42)18(5)29(41)17(4)27(14)39/h8-12,14,17-19,21,27,29-31,37,39,41-45H,13H2,1-7H3,(H,36,47)/b9-8+,15-10-,16-11+/t14-,17+,18+,19-,21+,27-,29+,30-,31+/m0/s1
SMILESCC1=C(O)C2=C3C(=O)C=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](CO)/C=C(\C)C2=O)C(=O)C3=C1O
MNX internals
InChI (mnx)InChI=1/C35H45NO11/c1-14-9-8-10-15(2)35(47)36-22-12-23(38)24-25(32(44)20(7)33(45)26(24)34(22)46)28(40)16(3)11-21(13-37)31(43)19(6)30(42)18(5)29(41)17(4)27(14)39/h8-12,14,17-19,21,27,29-31,37,39,41-45H,13H2,1-7H3,(H,36,47)/b9-8+,15-10-,16-11+/t14-,17+,18+,19-,21+,27-,29+,30-,31+/m0/s1 Image of MNXM734367
SMILES (mnx)[CH3:1][C@H:14]1/[CH:9]=[CH:8]/[CH:10]=[C:15]([CH3:2])\[C:35]([OH:47])=[N:36]/[C:22]2=[CH:12][C:23](=[O:38])[C:24]3=[C:25]([C:28](=[O:40])/[C:16]([CH3:3])=[CH:11]/[C@H:21]([CH2:13][OH:37])[C@H:31]([OH:43])[C@@H:19]([CH3:6])[C@@H:30]([OH:42])[C@H:18]([CH3:5])[C@H:29]([OH:41])[C@H:17]([CH3:4])[C@H:27]1[OH:39])[C:32]([OH:44])=[C:20]([CH3:7])[C:33]([OH:45])=[C:26]3[C:34]2=[O:46]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)9
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:32099
chebi:32099
kegg.compound:C12247
keggC:C12247
PHKOJKSYBBXXED-OCENJLCRSA-N 		Rifamycin W

seed.compound:cpd09026
seedM:cpd09026
PHKOJKSYBBXXED-OCENJLCRSA-M 		Rifamycin W
rifamycin W

metacyc.compound:CPD-10243
metacycM:CPD-10243
PHKOJKSYBBXXED-OCENJLCRSA-N 		rifamycin W

keggC:M_C12247
seedM:M_cpd09026 		secondary/obsolete/fantasy identifier