input word = C00037025

Metabolite InformationStructural formula
Name Demethylligstroside
(-)-Demethylligstroside
Formula C24H30O12
Mw 510.17372642
CAS RN 326491-76-3
C_ID C00037025 ,
InChIKey BSUNYCAAALCBNU-SUPPTLJGNA-N
InChICode InChI=1S/C24H30O12/c1-2-14-15(9-18(27)33-8-7-12-3-5-13(26)6-4-12)16(22(31)32)11-34-23(14)36-24-21(30)20(29)19(28)17(10-25)35-24/h2-6,11,15,17,19-21,23-26,28-30H,7-10H2,1H3,(H,31,32)/b14-2+/t15-,17+,19+,20-,21+,23-,24-/m0/s1
SMILES c1(ccc(cc1)O)CCOC(=O)C[C@@H]1C(=CO[C@H](/C/1=C/C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOleaceaeFraxinus americana Ref.
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OrganismFraxinus americana
ReferenceTakenaka,Phytochem.,55,(2000),275