input word = C00004326

Metabolite InformationStructural formula
Name Luteolin 7-sulfate-3'-rutinoside
Formula C27H30O18S
Mw 674.11528489
CAS RN
C_ID C00004326 ,
InChIKey XEPFWJSKSWCFRK-VMDDIMDCNA-N
InChICode InChI=1S/C27H30O18S/c1-9-20(31)22(33)24(35)26(41-9)40-8-18-21(32)23(34)25(36)27(44-18)43-16-4-10(2-3-12(16)28)15-7-14(30)19-13(29)5-11(6-17(19)42-15)45-46(37,38)39/h2-7,9,18,20-29,31-36H,8H2,1H3,(H,37,38,39)/t9-,18+,20+,21-,22+,23-,24-,25+,26-,27-/m1/s1
SMILES CC1O[C@@H](OCC2O[C@@H](Oc3cc(-c4cc(=O)c5c(O)cc(OS(=O)(=O)O)cc5o4)ccc3O)C(O)C(O)[C@@H]2O)C(O)[C@@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeArecaceaeOpsiandra maya Ref.
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