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 [C@@H]1([C@@H]([C@H]([C@@H](O[C@H]1CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OCCc1ccc(c(c1)O)O)O)O)OC(=O)/C=C/c1cc(c(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeDicliptera riparia Ref.
PlantaeOleaceaeFraxinus ornus Ref.
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OrganismFraxinus ornus
ReferenceIossifova,Phytochem.,50,(1999),297