input word = C00005701

Metabolite InformationStructural formula
Name Ranupenin 3-rutinoside
Formula C28H32O17
Mw 640.1639496
CAS RN 85122-22-1
C_ID C00005701 ,
InChIKey AWDJLPGVCMQRAF-LHZANBRKNA-N
InChICode InChI=1S/C28H32O17/c1-8-16(32)20(36)22(38)27(42-8)41-7-14-17(33)21(37)23(39)28(43-14)45-26-19(35)15-12(31)6-13(40-2)18(34)25(15)44-24(26)9-3-4-10(29)11(30)5-9/h3-6,8,14,16-17,20-23,27-34,36-39H,7H2,1-2H3/t8-,14+,16-,17-,20-,21-,22+,23-,27+,28-/m0/s1
SMILES COc1cc(O)c2c(=O)c(O[C@@H]3OC(CO[C@@H]4OC(C)[C@H](O)[C@H](O)C4O)[C@@H](O)C(O)C3O)c(-c3ccc(O)c(O)c3)oc2c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeRuta graveolens Ref.
PlantaeRutaceaeRuta spp. Ref.
zoom in