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tellimagrandin II

MNXM12983 is deprecated and here replaced by MNXM727913
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM727913 Image of MNXM727913
referencechebi:145905
formulaC41H28O26
global charge-2
mol weight936.649
InChIKeyJCGHAEBIBSEQAD-UUUCSUBKSA-L
InChIInChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2/p-2/t23-,33-,34+,35-,41+/m1/s1
SMILESO=C(O[C@@H]1O[C@@H]2COC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(C=C(O)C(O)=C3[O-])C(=O)O[C@H]2[C@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@H]1OC(=O)C1=CC(O)=C(O)C(O)=C1)C1=CC(O)=C([O-])C(O)=C1
MNX internals
InChI (mnx)InChI=1/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2/t23-,33-,34+,35-,41+/m1/s1 Image of MNXM727913
SMILES (mnx)[CH:1]1=[C:10]([C:36](=[O:57])[O:65][C@H:34]2[C@H:33]3[C@@H:23]([CH2:9][O:62][C:39](=[O:60])[C:13]4=[CH:7][C:21]([OH:48])=[C:29]([OH:53])[C:31]([OH:55])=[C:24]4[C:25]4=[C:14]([CH:8]=[C:22]([OH:49])[C:30]([OH:54])=[C:32]4[OH:56])[C:40](=[O:61])[O:64]3)[O:63][C@@H:41]([O:67][C:38]([C:12]3=[CH:5][C:19]([OH:46])=[C:28]([OH:52])[C:20]([OH:47])=[CH:6]3)=[O:59])[C@@H:35]2[O:66][C:37]([C:11]2=[CH:3][C:17]([OH:44])=[C:27]([OH:51])[C:18]([OH:45])=[CH:4]2)=[O:58])[CH:2]=[C:16]([OH:43])[C:26]([OH:50])=[C:15]1[OH:42]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:145905
chebi:145905
JCGHAEBIBSEQAD-UUUCSUBKSA-L 		tellimagrandin II
tellimagrandin II(2-)

kegg.compound:C10224
keggC:C10224
JCGHAEBIBSEQAD-UUUCSUBKSA-N 		Eugeniin
Tellimagrandin II

seed.compound:cpd07113
seedM:cpd07113
JCGHAEBIBSEQAD-UUUCSUBKSA-M 		Eugeniin
Tellimagrandin II
cornustannin 2
eugeniin
tellimagrandin II

CHEBI:4916
chebi:4916
JCGHAEBIBSEQAD-UUUCSUBKSA-N 		eugeniin
(11aR,13S,14R,15S,15aR)-2,3,4,5,6,7-hexahydroxy-9,17-dioxo-9,11,11a,13,14,15,15a,17-octahydrodibenzo[g,i]pyrano[3,2-b][1,5]dioxacycloundecine-13,14,15-triyl tris(3,4,5-trihydroxybenzoate)
1,2,3-trigalloyl-4,6-hexahydroxydiphenoyl beta-D-glucopyranose
Cornustannin 2
Eugeniin
Tellimagrandin II
beta-D-Glucopyranose,cyclic4,6-(4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate)1,2,3-tris(3,4,5-trihydroxybenzoate)

metacyc.compound:CPD-8949
metacycM:CPD-8949
JCGHAEBIBSEQAD-UUUCSUBKSA-N 		tellimagrandin II
cornustannin 2
eugeniin

chebi:65872
keggC:M_C10224
seedM:M_cpd07113 		secondary/obsolete/fantasy identifier