input word = C00013663

Metabolite InformationStructural formula
Name Luteolin 7-glucoside-3'-glucuronide
5-[7-(beta-D-Glucopyranosyloxy)-5-hydroxy-4-oxo-4H-1-benzopyran-2-yl]-2-hydroxyphenyl beta-D-glucopyranosiduronic acid
Formula C27H28O17
Mw 624.13264947
CAS RN 470478-50-3
C_ID C00013663 ,
InChIKey XSWBHFPDOTXBBV-JTHINNNYNA-N
InChICode InChI=1S/C27H28O17/c28-7-16-18(32)19(33)22(36)26(43-16)40-9-4-11(30)17-12(31)6-13(41-15(17)5-9)8-1-2-10(29)14(3-8)42-27-23(37)20(34)21(35)24(44-27)25(38)39/h1-6,16,18-24,26-30,32-37H,7H2,(H,38,39)/t16-,18-,19+,20+,21+,22-,23-,24+,26-,27-/m1/s1
SMILES c1(cc(c2c(c1)oc(cc2=O)c1cc(c(cc1)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeMelissa officinalis Ref.
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