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

MNXM145749 is deprecated and here replaced by MNXM1368158
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1368158 Image of MNXM1368158
referencechebi:78286
formulaC30H32O15
global charge0
mol weight632.571
InChIKeyNIRLIWMQNRJEDG-RARRKIFNSA-N
InChIInChI=1S/C30H32O15/c1-10-17-12(8-14(18(10)27(37)43-6)45-28-23(42-5)22(41-4)20(32)11(2)44-28)7-13-19(21(17)33)26(36)29(38)16(31)9-15(40-3)25(35)30(29,39)24(13)34/h7-9,11,20,22-23,25,28,32-33,35,38-39H,1-6H3/t11-,20-,22+,23+,25+,28-,29+,30+/m0/s1
SMILESCOC(=O)C1=C(O[C@@H]2O[C@@H](C)[C@H](O)[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/C30H32O15/c1-10-17-12(8-14(18(10)27(37)43-6)45-28-23(42-5)22(41-4)20(32)11(2)44-28)7-13-19(21(17)33)26(36)29(38)16(31)9-15(40-3)25(35)30(29,39)24(13)34/h7-9,11,20,22-23,25,28,32-33,35,38-39H,1-6H3/t11-,20-,22+,23+,25+,28-,29+,30+/m0/s1 Image of MNXM1368158
SMILES (mnx)[CH3:1][C:10]1=[C:18]([C:27](=[O:37])[O:43][CH3:6])[C:14]([O:45][C@H:28]2[C@H:23]([O:42][CH3:5])[C@H:22]([O:41][CH3:4])[C@@H:20]([OH:32])[C@H:11]([CH3:2])[O:44]2)=[CH:8][C:12]2=[CH:7][C:13]3=[C:19]([C:21]([OH:33])=[C:17]12)[C:26](=[O:36])[C@:29]1([OH:38])[C:16](=[O:31])[CH:9]=[C:15]([O:40][CH3:3])[C@@H:25]([OH:35])[C@:30]1([OH:39])[C:24]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:78286
chebi:78286
NIRLIWMQNRJEDG-RARRKIFNSA-N 		8-demethyl-8-(2,3-di-O-methyl-alpha-L-rhamnosyl)-tetracenomycin C
8-demethyl-8-(2,3-O-dimethyl-alpha-L-rhamnosyl)tetracenomycin C
methyl (6aR,7S,10aR)-3-[(6-deoxy-2,3-di-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

kegg.compound:C20976
keggC:C20976
NIRLIWMQNRJEDG-RARRKIFNSA-N 		8-Demethyl-8-(2,3-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C

metacyc.compound:CPD-16639
metacycM:CPD-16639
NIRLIWMQNRJEDG-RARRKIFNSA-N 		8-demethyl-8-(2,3-O-dimethyl-alpha-L-rhamnosyl)-tetracenomycin C

keggC:M_C20976 		secondary/obsolete/fantasy identifier