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8-demethyltetracenomycin C

MNXM8217 is deprecated and here replaced by MNXM1372392
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1372392 Image of MNXM1372392
referencechebi:31144
formulaC22H18O11
global charge0
mol weight458.375
InChIKeyDFURSAVCHZIKSU-STZQEDGTSA-N
InChIInChI=1S/C22H18O11/c1-7-13-8(5-10(23)14(7)20(29)33-3)4-9-15(16(13)25)19(28)21(30)12(24)6-11(32-2)18(27)22(21,31)17(9)26/h4-6,18,23,25,27,30-31H,1-3H3/t18-,21-,22-/m1/s1
SMILESCOC(=O)C1=C(C)C2=C(C=C1O)C=C1C(=O)[C@@]3(O)[C@H](O)C(OC)=CC(=O)[C@@]3(O)C(=O)C1=C2O
MNX internals
InChI (mnx)InChI=1/C22H18O11/c1-7-13-8(5-10(23)14(7)20(29)33-3)4-9-15(16(13)25)19(28)21(30)12(24)6-11(32-2)18(27)22(21,31)17(9)26/h4-6,18,23,25,27,30-31H,1-3H3/t18-,21-,22-/m1/s1 Image of MNXM1372392
SMILES (mnx)[CH3:1][C:7]1=[C:14]([C:20](=[O:29])[O:33][CH3:3])[C:10]([OH:23])=[CH:5][C:8]2=[CH:4][C:9]3=[C:15]([C:16]([OH:25])=[C:13]12)[C:19](=[O:28])[C@:21]1([OH:30])[C:12](=[O:24])[CH:6]=[C:11]([O:32][CH3:2])[C@@H:18]([OH:27])[C@:22]1([OH:31])[C:17]3=[O:26]
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:31144
chebi:31144
DFURSAVCHZIKSU-STZQEDGTSA-N 		8-demethyltetracenomycin C
methyl (6aR,7S,10aR)-3,6a,7,10a,12-pentahydroxy-8-methoxy-1-methyl-6,10,11-trioxo-6,6a,7,10,10a,11-hexahydrotetracene-2-carboxylate

kegg.compound:C12379
keggC:C12379
DFURSAVCHZIKSU-STZQEDGTSA-N 		8-Demethyltetracenomycin C

metacyc.compound:CPD-16642
metacycM:CPD-16642
DFURSAVCHZIKSU-STZQEDGTSA-N 		8-demethyltetracenomycin C

keggC:M_C12379 		secondary/obsolete/fantasy identifier