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 c1(cc(c2c(c1O)oc(c(c2=O)O[C@H]1[C@H]([C@H]([C@H]([C@H](O1)CO[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C)O)O)O)O)O)O)c1ccc(c(c1)O)O)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeRuta graveolens Ref.
PlantaeRutaceaeRuta spp. Ref.
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OrganismRuta graveolens
ReferenceHarborne, The Handbook of Natural Flavonoids, 1, (1999), 297.Flavonol O-glycosides

Harborne,Z.Naturforsch.C.,38,(1983),148