input word = C00031232

Metabolite InformationStructural formula
Name Rubiadin primeveroside
Formula C26H28O13
Mw 548.15299098
CAS RN 26388-47-6
C_ID C00031232 ,
InChIKey MICKPSHQKPCYJH-YCTDZBHPNA-N
InChICode InChI=1S/C26H28O13/c1-9-14(6-12-16(17(9)28)19(30)11-5-3-2-4-10(11)18(12)29)38-26-24(35)22(33)21(32)15(39-26)8-37-25-23(34)20(31)13(27)7-36-25/h2-6,13,15,20-28,31-35H,7-8H2,1H3/t13-,15+,20-,21+,22-,23-,24+,25-,26+/m0/s1
SMILES c12c(C(=O)c3c(C1=O)cc(c(c3O)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@H]1[C@H]([C@H]([C@H](CO1)O)O)O)cccc2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeRubia wallichiana DECNE Ref.
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