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 Cc1c(O[C@@H]2O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc2c(c1O)C(=O)c1ccccc1C2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeRubia wallichiana DECNE Ref.
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