input word = C00005513

Metabolite InformationStructural formula
Name Rhamnetin 3-neohesperidoside
Formula C28H32O16
Mw 624.16903498
CAS RN 101330-77-2
C_ID C00005513 ,
InChIKey FEDXVHJTGGFAHV-GHLOOZCJNA-N
InChICode InChI=1S/C28H32O16/c1-9-18(33)21(36)23(38)27(40-9)44-26-22(37)19(34)16(8-29)42-28(26)43-25-20(35)17-14(32)6-11(39-2)7-15(17)41-24(25)10-3-4-12(30)13(31)5-10/h3-7,9,16,18-19,21-23,26-34,36-38H,8H2,1-2H3/t9-,16+,18-,19-,21+,22+,23-,26+,27-,28-/m0/s1
SMILES COc1cc(O)c2c(=O)c(O[C@@H]3OC(CO)[C@@H](O)C(O)C3O[C@@H]3OC(C)[C@H](O)C(O)[C@@H]3O)c(-c3ccc(O)c(O)c3)oc2c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCapparaceaeBoscia salicifolia Ref.
PlantaeFabaceaeCassia occidentalis Ref.
PlantaeFabaceaeDerris trifoliata Ref.
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