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

MNXM145750 is deprecated and here replaced by MNXM1368160
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1368160 Image of MNXM1368160
referencechebi:78285
formulaC29H30O15
global charge0
mol weight618.544
InChIKeyHDQAHAYFRSTUFM-LMEYJBJCSA-N
InChIInChI=1S/C29H30O15/c1-9-16-11(7-13(17(9)26(37)42-5)44-27-22(41-4)21(33)19(31)10(2)43-27)6-12-18(20(16)32)25(36)28(38)15(30)8-14(40-3)24(35)29(28,39)23(12)34/h6-8,10,19,21-22,24,27,31-33,35,38-39H,1-5H3/t10-,19-,21+,22+,24+,27-,28+,29+/m0/s1
SMILESCOC(=O)C1=C(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[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/C29H30O15/c1-9-16-11(7-13(17(9)26(37)42-5)44-27-22(41-4)21(33)19(31)10(2)43-27)6-12-18(20(16)32)25(36)28(38)15(30)8-14(40-3)24(35)29(28,39)23(12)34/h6-8,10,19,21-22,24,27,31-33,35,38-39H,1-5H3/t10-,19-,21+,22+,24+,27-,28+,29+/m0/s1 Image of MNXM1368160
SMILES (mnx)[CH3:1][C:9]1=[C:17]([C:26](=[O:37])[O:42][CH3:5])[C:13]([O:44][C@H:27]2[C@H:22]([O:41][CH3:4])[C@H:21]([OH:33])[C@@H:19]([OH:31])[C@H:10]([CH3:2])[O:43]2)=[CH:7][C:11]2=[CH:6][C:12]3=[C:18]([C:20]([OH:32])=[C:16]12)[C:25](=[O:36])[C@:28]1([OH:38])[C:15](=[O:30])[CH:8]=[C:14]([O:40][CH3:3])[C@@H:24]([OH:35])[C@:29]1([OH:39])[C:23]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:78285
chebi:78285
HDQAHAYFRSTUFM-LMEYJBJCSA-N 		8-demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)-tetracenomycin C
8-demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C
8-demethyl-8-(2-methoxy-alpha-L-rhamnosyl)tetracenomycin C
methyl (6aR,7S,10aR)-3-[(6-deoxy-2-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:C20975
keggC:C20975
HDQAHAYFRSTUFM-LMEYJBJCSA-N 		8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C

metacyc.compound:CPD-16640
metacycM:CPD-16640
HDQAHAYFRSTUFM-LMEYJBJCSA-N 		8-demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)-tetracenomycin C

keggC:M_C20975 		secondary/obsolete/fantasy identifier