input word = C00005278

Metabolite InformationStructural formula
Name Rhamnocitrin 3-neohesperidoside
Formula C28H32O15
Mw 608.17412036
CAS RN 129885-17-2
C_ID C00005278 ,
InChIKey BLZNTUOAYPULPN-WWWVKYHZNA-N
InChICode InChI=1S/C28H32O15/c1-10-18(32)21(35)23(37)27(39-10)43-26-22(36)19(33)16(9-29)41-28(26)42-25-20(34)17-14(31)7-13(38-2)8-15(17)40-24(25)11-3-5-12(30)6-4-11/h3-8,10,16,18-19,21-23,26-33,35-37H,9H2,1-2H3/t10-,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)cc3)oc2c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCapparaceaeBoscia salicifolia Ref.
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