input word = C00031721

Metabolite InformationStructural formula
Name Daphylloside
Asperulosidic acid methyl ester
Formula C19H26O12
Mw 446.1424263
CAS RN 14260-99-2
C_ID C00031721 ,
InChIKey YSOBQIMODQOGKQ-YEPUGPEKNA-N
InChICode InChI=1S/C19H26O12/c1-7(21)28-5-8-3-10(22)13-9(17(26)27-2)6-29-18(12(8)13)31-19-16(25)15(24)14(23)11(4-20)30-19/h3,6,10-16,18-20,22-25H,4-5H2,1-2H3/t10-,11-,12-,13+,14-,15+,16-,18+,19+/m1/s1
SMILES O1C=C([C@@H]2[C@H]([C@@H]1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C(=C[C@H]2O)COC(=O)C)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDaphniphyllaceaeDaphniphyllum macropodum Miq. Ref.
PlantaeRubiaceaeLasianthus wallichii Ref.
PlantaeRubiaceaePaederia scandens Ref.
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