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8-demethyl-8-(2,3,4-tri-O-methyl-alpha-L-rhamnosyl)-tetracenomycin C

MNXM146114 is deprecated and here replaced by MNXM1368174
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1368174 Image of MNXM1368174
referencechebi:78287
formulaC31H34O15
global charge0
mol weight646.598
InChIKeyGDMKCWSZMAFALT-WNSZSYCKSA-N
InChIInChI=1S/C31H34O15/c1-11-18-13(9-15(19(11)28(37)44-7)46-29-24(43-6)23(42-5)22(41-4)12(2)45-29)8-14-20(21(18)33)27(36)30(38)17(32)10-16(40-3)26(35)31(30,39)25(14)34/h8-10,12,22-24,26,29,33,35,38-39H,1-7H3/t12-,22-,23+,24+,26+,29-,30+,31+/m0/s1
SMILESCOC(=O)C1=C(O[C@@H]2O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]2OC)C=C2C=C3C(=O)[C@@]4(O)[C@H](O)C(OC)=CC(=O)[C@@]4(O)C(=O)C3=C(O)C2=C1C
MNX internals
InChI (mnx)InChI=1/C31H34O15/c1-11-18-13(9-15(19(11)28(37)44-7)46-29-24(43-6)23(42-5)22(41-4)12(2)45-29)8-14-20(21(18)33)27(36)30(38)17(32)10-16(40-3)26(35)31(30,39)25(14)34/h8-10,12,22-24,26,29,33,35,38-39H,1-7H3/t12-,22-,23+,24+,26+,29-,30+,31+/m0/s1 Image of MNXM1368174
SMILES (mnx)[CH3:1][C:11]1=[C:19]([C:28](=[O:37])[O:44][CH3:7])[C:15]([O:46][C@H:29]2[C@H:24]([O:43][CH3:6])[C@H:23]([O:42][CH3:5])[C@@H:22]([O:41][CH3:4])[C@H:12]([CH3:2])[O:45]2)=[CH:9][C:13]2=[CH:8][C:14]3=[C:20]([C:21]([OH:33])=[C:18]12)[C:27](=[O:36])[C@:30]1([OH:38])[C:17](=[O:32])[CH:10]=[C:16]([O:40][CH3:3])[C@@H:26]([OH:35])[C@:31]1([OH:39])[C:25]3=[O:34]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:78287
chebi:78287
GDMKCWSZMAFALT-WNSZSYCKSA-N 		8-demethyl-8-(2,3,4-tri-O-methyl-alpha-L-rhamnosyl)-tetracenomycin C
12-demethylelloramycin A
8-demethyl-8-(2,3,4-O-trimethyl-alpha-L-rhamnosyl)tetracenomycin C
methyl (6aR,7S,10aR)-3-[(6-deoxy-2,3,4-tri-O-methyl-alpha-L-mannopyranosyl)oxy]-6a,7,10a,12-tetrahydroxy-8-methoxy-1-methyl-6,10,11-trioxo-6,6a,7,10,10a,11-hexahydrotetracene-2-carboxylate

metacyc.compound:CPD-16638
metacycM:CPD-16638
GDMKCWSZMAFALT-WNSZSYCKSA-N 		12-demethyl-elloramycin
8-demethyl-8-(2,3,4-O-trimethyl-alpha-L-rhamnosyl)-tetracenomycin C

kegg.compound:C20977
keggC:C20977
GDMKCWSZMAFALT-WNSZSYCKSA-N 		8-Demethyl-8-(2,3,4-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C

keggC:M_C20977 		secondary/obsolete/fantasy identifier