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 c1(cc(c2c(c1OC)oc(c(c2=O)O)c1ccc(c(c1)OC)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)CO)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeHaplophyllum perforatum Ref.
zoom in