input word = C00026658

Metabolite InformationStructural formula
Name Glucodichotomine B
Formula C20H22N2O9
Mw 434.13253032
CAS RN 845673-16-7
C_ID C00026658 ,
InChIKey WQKKQBMRVKDLBP-MQIMTNLNNA-N
InChICode InChI=1S/C20H22N2O9/c23-6-12(30-20-18(27)17(26)16(25)13(7-24)31-20)15-14-9(5-11(22-15)19(28)29)8-3-1-2-4-10(8)21-14/h1-5,12-13,16-18,20-21,23-27H,6-7H2,(H,28,29)/t12-,13+,16+,17-,18-,20+/m0/s1
SMILES c12c(c3c([nH]1)c(nc(c3)C(=O)O)[C@H](CO)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@@H]1O)CO)cccc2
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeStellaria dichotoma L.var. lanceolata Ref.
PlantaeCaryophyllaceaeStellaria dichotoma var.lanceolata Ref.
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OrganismStellaria dichotoma L.var. lanceolata
ReferenceMorikawa,Chem.Pharm.Bull.,52,(2004),1194