input word = C00005719

Metabolite InformationStructural formula
Name Limocitrin 3-rutinoside
Formula C29H34O17
Mw 654.17959966
CAS RN 79384-27-3
C_ID C00005719 ,
InChIKey SCMBTGLLYCNHPV-NCRMPFSANA-N
InChICode InChI=1S/C29H34O17/c1-9-17(33)20(36)22(38)28(43-9)42-8-15-18(34)21(37)23(39)29(44-15)46-27-19(35)16-12(31)7-13(32)25(41-3)26(16)45-24(27)10-4-5-11(30)14(6-10)40-2/h4-7,9,15,17-18,20-23,28-34,36-39H,8H2,1-3H3/t9-,15-,17+,18+,20+,21+,22-,23-,28-,29+/m1/s1
SMILES c1(cc(c2c(c1OC)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)OC)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCoronilla valentina Ref.
PlantaeRutaceaeCitrus limon Ref.
PlantaeRutaceaeHaplophyllum glabrinum Ref.
PlantaeRutaceaeHaplophyllum pedicellatum Ref.
PlantaeRutaceaeHaplophyllum robustum Ref.
PlantaeRutaceaeHaplophyllum suaveolens Ref.
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OrganismHaplophyllum suaveolens
ReferenceHarborne, The Handbook of Natural Flavonoids, 1, (1999), 297.Flavonol O-glycosides

Harborne,Phytochem.,20,(1981),1117

Ulubelen,Phytochem.,23,(1984),2941