input word = C00037437

Metabolite InformationStructural formula
Name Lugrandoside
(-)-Lugrandoside
Formula C29H36O16
Mw 640.20033511
CAS RN 117457-37-1
C_ID C00037437 ,
InChIKey YKBRODKARMTLPL-GNMWZILYNA-N
InChICode InChI=1S/C29H36O16/c30-11-19-22(36)23(37)25(39)29(43-19)42-12-20-27(45-21(35)6-3-13-1-4-15(31)17(33)9-13)24(38)26(40)28(44-20)41-8-7-14-2-5-16(32)18(34)10-14/h1-6,9-10,19-20,22-34,36-40H,7-8,11-12H2/b6-3+/t19-,20+,22-,23+,24-,25-,26-,27-,28-,29-/m1/s1
SMILES O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeDicliptera riparia Ref.
PlantaeOleaceaeFraxinus ornus Ref.
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