input word = C00030697

Metabolite InformationStructural formula
Name Lyalosidic acid
Formula C26H28N2O9
Mw 512.17948051
CAS RN 104821-27-4
C_ID C00030697 ,
InChIKey UZLBTLIRYSYTRG-RHYZEBGHNA-N
InChICode InChI=1S/C26H28N2O9/c1-2-12-15(9-18-20-14(7-8-27-18)13-5-3-4-6-17(13)28-20)16(24(33)34)11-35-25(12)37-26-23(32)22(31)21(30)19(10-29)36-26/h2-8,11-12,15,19,21-23,25-26,28-32H,1,9-10H2,(H,33,34)/t12-,15-,19-,21+,22+,23-,25-,26+/m1/s1
SMILES [nH]1c2c(c3c1c(ncc3)C[C@@H]1[C@H]([C@H](OC=C1C(=O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C=C)cccc2
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeOphiorrhiza japonica Ref.
PlantaeRubiaceaeOphiorrhiza liukiuensis Ref.
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