input word = C00005566

Metabolite InformationStructural formula
Name Isorhamnetin 3-galactosyl-(1->4)-rhamnosyl-(1->6)-galactoside
Isorhamnetin 3-(4Rha-galactosylrobinobioside)
3-[(O-beta-D-galactopyranosyl-(1->4)-O-6-deoxy-alpha-L-mannopyranosyl-(1->6)-beta-D-galactopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one
Formula C34H42O21
Mw 786.22185841
CAS RN 168136-44-5
C_ID C00005566 ,
InChIKey SBEPSCJFOSFEPL-ZBCLQXFPNA-N
InChICode InChI=1S/C34H42O21/c1-10-29(54-33-26(45)23(42)20(39)17(8-35)52-33)25(44)28(47)32(50-10)49-9-18-21(40)24(43)27(46)34(53-18)55-31-22(41)19-14(38)6-12(36)7-16(19)51-30(31)11-3-4-13(37)15(5-11)48-2/h3-7,10,17-18,20-21,23-29,32-40,42-47H,8-9H2,1-2H3/t10-,17+,18-,20+,21+,23-,24+,25+,26+,27-,28+,29-,32+,33-,34-/m0/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)CO[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)O)O)c1ccc(c(c1)OC)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeNitrariaceaeNitraria retusa Ref.
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