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 c1(c(c(c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O)O)O)O[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)/C=C/c1ccc(cc1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGlobulariaceaeGlobularia elongata Ref.
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