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torososide B

PropertiesImage
MNX_IDMNXM113620 Image of MNXM113620
referencechebi:66257
formulaC40H52O25
global charge0
mol weight932.831
InChIKeyPIFVMMPDYLWDPU-QFKVYBHTSA-N
InChIInChI=1S/C40H52O25/c1-11-3-13-21(15(43)4-11)28(49)22-14(23(13)44)5-12(57-2)6-16(22)60-39-33(54)30(51)25(46)19(63-39)10-59-38-35(56)36(27(48)18(8-42)62-38)65-40-34(55)31(52)26(47)20(64-40)9-58-37-32(53)29(50)24(45)17(7-41)61-37/h3-6,17-20,24-27,29-43,45-48,50-56H,7-10H2,1-2H3/t17-,18-,19-,20-,24-,25-,26-,27-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+/m1/s1
SMILESCOC1=CC2=C(C(=O)C3=C(C=C(C)C=C3O)C2=O)C(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)=C1
MNX internals
InChI (mnx)InChI=1/C40H52O25/c1-11-3-13-21(15(43)4-11)28(49)22-14(23(13)44)5-12(57-2)6-16(22)60-39-33(54)30(51)25(46)19(63-39)10-59-38-35(56)36(27(48)18(8-42)62-38)65-40-34(55)31(52)26(47)20(64-40)9-58-37-32(53)29(50)24(45)17(7-41)61-37/h3-6,17-20,24-27,29-43,45-48,50-56H,7-10H2,1-2H3/t17-,18-,19-,20-,24-,25-,26-,27-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+/m1/s1 Image of MNXM113620
SMILES (mnx)[CH3:1][C:11]1=[CH:3][C:13]2=[C:21]([C:15]([OH:43])=[CH:4]1)[C:28](=[O:49])[C:22]1=[C:16]([O:60][C@H:39]3[C@H:33]([OH:54])[C@@H:30]([OH:51])[C@H:25]([OH:46])[C@@H:19]([CH2:10][O:59][C@H:38]4[C@H:35]([OH:56])[C@@H:36]([O:65][C@H:40]5[C@H:34]([OH:55])[C@@H:31]([OH:52])[C@H:26]([OH:47])[C@@H:20]([CH2:9][O:58][C@H:37]6[C@H:32]([OH:53])[C@@H:29]([OH:50])[C@H:24]([OH:45])[C@@H:17]([CH2:7][OH:41])[O:61]6)[O:64]5)[C@H:27]([OH:48])[C@@H:18]([CH2:8][OH:42])[O:62]4)[O:63]3)[CH:6]=[C:12]([O:57][CH3:2])[CH:5]=[C:14]1[C:23]2=[O:44]
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:66257
chebi:66257
PIFVMMPDYLWDPU-QFKVYBHTSA-N 		torososide B
8-hydroxy-3-methoxy-6-methyl-9,10-dioxo-9,10-dihydroanthracen-1-yl beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside
physcion-8-O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside

CHEBI:184609
chebi:184609
PIFVMMPDYLWDPU-UHFFFAOYSA-N 		1-{[6-({[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-8-hydroxy-3-methoxy-6-methyl-9,10-dihydroanthracene-9,10-dione
1-[6-[[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-8-hydroxy-3-methoxy-6-methylanthracene-9,10-dione
hmdb:HMDB0034855
PIFVMMPDYLWDPU-UHFFFAOYSA-N 		Torososide B
1-{[6-({[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-8-hydroxy-3-methoxy-6-methyl-9,10-dihydroanthracene-9,10-dione
1-{[6-({[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-8-hydroxy-3-methoxy-6-methylanthracene-9,10-dione
Torososide-b

hmdb:HMDB34855 		secondary/obsolete/fantasy identifier