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(-)-Maackiain-3-O-glucosyl-6''-O-malonate

MNXM722908 is deprecated and replaced by MNXM5350
PropertiesImage
MNX_IDMNXM5350 Image of MNXM5350
referencechebi:80396
formulaC25H24O13
global charge0
mol weight532.454
InChIKeyZHXRWFOBROFZAC-LVYGOKBNSA-N
InChIInChI=1S/C25H24O13/c26-19(27)6-20(28)33-8-18-21(29)22(30)23(31)25(38-18)36-10-1-2-11-14(3-10)32-7-13-12-4-16-17(35-9-34-16)5-15(12)37-24(11)13/h1-5,13,18,21-25,29-31H,6-9H2,(H,26,27)/t13-,18+,21+,22-,23+,24-,25+/m0/s1
SMILESO=C(O)CC(=O)OC[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC[C@H]2C4=C(C=C5OCOC5=C4)O[C@@H]32)[C@H](O)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C25H24O13/c26-19(27)6-20(28)33-8-18-21(29)22(30)23(31)25(38-18)36-10-1-2-11-14(3-10)32-7-13-12-4-16-17(35-9-34-16)5-15(12)37-24(11)13/h1-5,13,18,21-25,29-31H,6-9H2,(H,26,27)/t13-,18+,21+,22-,23+,24-,25+/m0/s1 Image of MNXM5350
SMILES (mnx)[CH:1]1=[CH:2][C:11]2=[C:14]([CH:3]=[C:10]1[O:36][C@H:25]1[C@H:23]([OH:31])[C@@H:22]([OH:30])[C@H:21]([OH:29])[C@@H:18]([CH2:8][O:33][C:20]([CH2:6][C:19](=[O:26])[OH:27])=[O:28])[O:38]1)[O:32][CH2:7][C@H:13]1[C:12]3=[CH:4][C:16]4=[C:17]([CH:5]=[C:15]3[O:37][C@@H:24]21)[O:35][CH2:9][O:34]4
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

seed.compound:cpd14948
seedM:cpd14948
CHEBI:80396
chebi:80396
kegg.compound:C16231
keggC:C16231
ZHXRWFOBROFZAC-LVYGOKBNSA-M
ZHXRWFOBROFZAC-LVYGOKBNSA-N 		(-)-Maackiain-3-O-glucosyl-6''-O-malonate

metacyc.compound:CPD-4223
metacycM:CPD-4223
seed.compound:cpd24477
seedM:cpd24477
ZHXRWFOBROFZAC-LVYGOKBNSA-M 		(-)-maackiain-3-O-glucoside-6''-malonate
trifolirhizin-6''-O-malonat

keggC:M_C16231
seedM:M_cpd14948
seedM:M_cpd24477 		secondary/obsolete/fantasy identifier