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25-O-deacetyl-27-O-demethylrifamycin S

MNXM736008 is deprecated and replaced by MNXM164174
PropertiesImage
MNX_IDMNXM164174 Image of MNXM164174
referencemetacycM:CPD-10239
formulaC34H41NO11
global charge0
mol weight639.698
InChIKeyVCKBLTRSSYIXLX-KATQMFCOSA-N
InChIInChI=1S/C34H41NO11/c1-14-9-8-10-15(2)33(44)35-20-13-22(37)23-24(30(20)42)29(41)19(6)31-25(23)32(43)34(7,46-31)45-12-11-21(36)16(3)27(39)18(5)28(40)17(4)26(14)38/h8-14,16-18,21,26-28,36,38-41H,1-7H3,(H,35,44)/b9-8+,12-11+,15-10-/t14-,16+,17+,18-,21-,26-,27+,28+,34-/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=C/O[C@@]4(C)OC1=C3C4=O)C2=O
MNX internals
InChI (mnx)InChI=1/C34H41NO11/c1-14-9-8-10-15(2)33(44)35-20-13-22(37)23-24(30(20)42)29(41)19(6)31-25(23)32(43)34(7,46-31)45-12-11-21(36)16(3)27(39)18(5)28(40)17(4)26(14)38/h8-14,16-18,21,26-28,36,38-41H,1-7H3,(H,35,44)/b9-8+,12-11+,15-10-/t14-,16+,17+,18-,21-,26-,27+,28+,34-/m0/s1 Image of MNXM164174
SMILES (mnx)[CH3:1][C@H:14]1/[CH:9]=[CH:8]/[CH:10]=[C:15]([CH3:2])\[C:33]([OH:44])=[N:35]/[C:20]2=[CH:13][C:22](=[O:37])[C:23]3=[C:25]4[C:31](=[C:19]([CH3:6])[C:29]([OH:41])=[C:24]3[C:30]2=[O:42])[O:46][C@@:34]([CH3:7])([C:32]4=[O:43])[O:45]/[CH:12]=[CH:11]/[C@H:21]([OH:36])[C@@H:16]([CH3:3])[C@@H:27]([OH:39])[C@H:18]([CH3:5])[C@H:28]([OH:40])[C@H:17]([CH3:4])[C@H:26]1[OH:38]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-10239
metacycM:CPD-10239
VCKBLTRSSYIXLX-KATQMFCOSA-N 		25-O-deacetyl-27-O-demethylrifamycin S
demethyl-desacetyl-rifamycin S

seed.compound:cpd10422
seedM:cpd10422
VCKBLTRSSYIXLX-KATQMFCOSA-N 		Demethyl-desacetyl-rifamycin S
27-O-demethyl-25-O-deacetyl-rifamycin S
27-O-demethyl-25-O-desacetyl-rifamycin S
demethyl-desacetyl-rifamycin S

seedM:M_cpd10422 		secondary/obsolete/fantasy identifier