input word = C00005721

Metabolite InformationStructural formula
Name Limocitrin 7-neohesperidoside
Formula C29H34O17
Mw 654.17959966
CAS RN 97744-91-7
C_ID C00005721 ,
InChIKey QHGXSAZITOZQRI-JNLMHUDINA-N
InChICode InChI=1S/C29H34O17/c1-9-17(33)20(36)23(39)28(42-9)46-27-21(37)18(34)15(8-30)44-29(27)43-14-7-12(32)16-19(35)22(38)24(45-26(16)25(14)41-3)10-4-5-11(31)13(6-10)40-2/h4-7,9,15,17-18,20-21,23,27-34,36-39H,8H2,1-3H3/t9-,15-,17-,18-,20-,21-,23+,27+,28-,29+/m0/s1
SMILES COc1cc(-c2oc3c(OC)c(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O[C@@H]4OC(C)[C@H](O)[C@H](O)C4O)cc(O)c3c(=O)c2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeHaplophyllum perforatum Ref.
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OrganismHaplophyllum perforatum
ReferenceHarborne, The Handbook of Natural Flavonoids, 1, (1999), 297.Flavonol O-glycosides

Yuldashev,Khim.Prir.Soedin.,(1985),192