input word = C00005346

Metabolite InformationStructural formula
Name Herbacetin 3-glucuronide-8-glucoside
Formula C27H28O18
Mw 640.12756409
CAS RN 113540-99-1
C_ID C00005346 ,
InChIKey RFUZUTYSTCEPEW-TYXACITNNA-N
InChICode InChI=1S/C27H28O18/c28-6-11-13(32)15(34)18(37)26(41-11)43-21-10(31)5-9(30)12-14(33)23(20(42-22(12)21)7-1-3-8(29)4-2-7)44-27-19(38)16(35)17(36)24(45-27)25(39)40/h1-5,11,13,15-19,24,26-32,34-38H,6H2,(H,39,40)/t11-,13-,15+,16+,17+,18-,19-,24+,26+,27-/m1/s1
SMILES c1(cc(c2c(c1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)oc(c(c2=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePapaveraceaeRoemeria hybrida Ref.
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