input word = C00005620

Metabolite InformationStructural formula
Name Dillenetin 3-rutinoside
Formula C29H34O16
Mw 638.18468504
CAS RN 72945-42-7
C_ID C00005620 ,
InChIKey QYQFHIAAHONCJP-UOPYFGFHNA-N
InChICode InChI=1S/C29H34O16/c1-10-19(32)22(35)24(37)28(42-10)41-9-17-20(33)23(36)25(38)29(44-17)45-27-21(34)18-13(31)7-12(30)8-16(18)43-26(27)11-4-5-14(39-2)15(6-11)40-3/h4-8,10,17,19-20,22-25,28-33,35-38H,9H2,1-3H3/t10-,17+,19-,20-,22-,23+,24+,25+,28+,29-/m0/s1
SMILES COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2OC(CO[C@@H]3OC(C)[C@H](O)[C@H](O)C3O)[C@@H](O)C(O)C2O)cc1OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAnvillea garcinii Ref.
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