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2,4,4',5,5'-Pentahydroxy-7,7'-dimethyl-2'-[(3,4,5-trihydroxyoxan-2-yl)oxy]-9H,9'H,10H,10'H-[1,1'-bianthracene]-9,9',10,10'-tetrone

PropertiesImage
MNX_IDMNXM115399 Image of MNXM115399
referencechebi:184879
formulaC35H26O14
global charge0
mol weight670.579
InChIKeyRTWSMOOOURBUSZ-UHFFFAOYSA-N
InChIInChI=1S/C35H26O14/c1-10-3-12-21(14(36)5-10)32(45)24-17(39)7-16(38)23(27(24)29(12)42)26-20(49-35-34(47)31(44)19(41)9-48-35)8-18(40)25-28(26)30(43)13-4-11(2)6-15(37)22(13)33(25)46/h3-8,19,31,34-41,44,47H,9H2,1-2H3
SMILESCC1=CC2=C(C(=O)C3=C(O)C=C(OC4OCC(O)C(O)C4O)C(C4=C(O)C=C(O)C5=C4C(=O)C4=C(C5=O)C(O)=CC(C)=C4)=C3C2=O)C(O)=C1
MNX internals
InChI (mnx)InChI=1/C35H26O14/c1-10-3-12-21(14(36)5-10)32(45)24-17(39)7-16(38)23(27(24)29(12)42)26-20(49-35-34(47)31(44)19(41)9-48-35)8-18(40)25-28(26)30(43)13-4-11(2)6-15(37)22(13)33(25)46/h3-8,19,31,34-41,44,47H,9H2,1-2H3/t19?,31?,34?,35? Image of MNXM115399
SMILES (mnx)[CH3:1][C:10]1=[CH:3][C:12]2=[C:21]([C:14]([OH:36])=[CH:5]1)[C:32](=[O:45])[C:24]1=[C:17]([OH:39])[CH:7]=[C:16]([OH:38])[C:23]([C:26]3=[C:20]([O:49][CH:35]4[CH:34]([OH:47])[CH:31]([OH:44])[CH:19]([OH:41])[CH2:9][O:48]4)[CH:8]=[C:18]([OH:40])[C:25]4=[C:28]3[C:30](=[O:43])[C:13]3=[C:22]([C:15]([OH:37])=[CH:6][C:11]([CH3:2])=[CH:4]3)[C:33]4=[O:46])=[C:27]1[C:29]2=[O:42]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:184879
chebi:184879
RTWSMOOOURBUSZ-UHFFFAOYSA-N 		2,4,4',5,5'-Pentahydroxy-7,7'-dimethyl-2'-[(3,4,5-trihydroxyoxan-2-yl)oxy]-9H,9'H,10H,10'H-[1,1'-bianthracene]-9,9',10,10'-tetrone
4,5-dihydroxy-7-methyl-1-(2,4,5-trihydroxy-7-methyl-9,10-dioxoanthracen-1-yl)-2-(3,4,5-trihydroxyoxan-2-yl)oxyanthracene-9,10-dione
hmdb:HMDB0036319
RTWSMOOOURBUSZ-UHFFFAOYSA-N 		(R)-Skyrin 2-xyloside
4,5-dihydroxy-7-methyl-1-(2,4,5-trihydroxy-7-methyl-9,10-dioxo-9,10-dihydroanthracen-1-yl)-2-[(3,4,5-trihydroxyoxan-2-yl)oxy]-9,10-dihydroanthracene-9,10-dione
4,5-dihydroxy-7-methyl-1-(2,4,5-trihydroxy-7-methyl-9,10-dioxoanthracen-1-yl)-2-[(3,4,5-trihydroxyoxan-2-yl)oxy]anthracene-9,10-dione

hmdb:HMDB36319 		secondary/obsolete/fantasy identifier