input word = C00004396

Metabolite InformationStructural formula
Name 6-Hydroxyluteoin-7-(6'''-p-coumarylsophoroside)
Formula C36H36O19
Mw 772.18507897
CAS RN 113720-08-4
C_ID C00004396 ,
InChIKey WGFOYPJYVNYXOJ-RPCWNGCDNA-N
InChICode InChI=1S/C36H36O19/c37-12-23-28(44)32(48)34(55-35-33(49)31(47)29(45)24(54-35)13-50-25(42)8-3-14-1-5-16(38)6-2-14)36(53-23)52-22-11-21-26(30(46)27(22)43)19(41)10-20(51-21)15-4-7-17(39)18(40)9-15/h1-11,23-24,28-29,31-40,43-49H,12-13H2/b8-3+/t23-,24+,28+,29+,31-,32-,33+,34-,35-,36+/m0/s1
SMILES O=C(/C=C/c1ccc(O)cc1)OCC1O[C@@H](OC2[C@H](Oc3cc4oc(-c5ccc(O)c(O)c5)cc(=O)c4c(O)c3O)OC(CO)[C@@H](O)[C@@H]2O)C(O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGlobulariaceaeGlobularia elongata Ref.
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