input word = C00036635

Metabolite InformationStructural formula
Name 6-O-Acetylscandoside
Formula C18H24O12
Mw 432.12677623
CAS RN 118292-15-2
C_ID C00036635 ,
InChIKey DKSJVXMWGQVIEW-XOLFGVBQNA-N
InChICode InChI=1S/C18H24O12/c1-6(21)28-9-2-7(3-19)11-12(9)8(16(25)26)5-27-17(11)30-18-15(24)14(23)13(22)10(4-20)29-18/h2,5,9-15,17-20,22-24H,3-4H2,1H3,(H,25,26)/t9-,10+,11+,12-,13+,14-,15+,17-,18-/m0/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]2OC(=O)C)CO)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeWollastonia biflora Ref.
PlantaeRubiaceaeMorinda coreia Ref.
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