input word = C00030696

Metabolite InformationStructural formula
Name Lyaloside
Formula C27H30N2O9
Mw 526.19513057
CAS RN 56021-85-3
C_ID C00030696 ,
InChIKey VXUXCAXVQWIEMN-DNAXEIORNA-N
InChICode InChI=1S/C27H30N2O9/c1-3-13-16(10-19-21-15(8-9-28-19)14-6-4-5-7-18(14)29-21)17(25(34)35-2)12-36-26(13)38-27-24(33)23(32)22(31)20(11-30)37-27/h3-9,12-13,16,20,22-24,26-27,29-33H,1,10-11H2,2H3/t13-,16-,20+,22+,23-,24+,26+,27-/m0/s1
SMILES C=C[C@H]1C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1Cc1nccc2c1[nH]c1ccccc12
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeOphiorrhiza japonica Ref.
PlantaeRubiaceaeUncaria tomentosa Ref.
--Pauridiantha lyalli Ref.
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