input word = C00042538

Metabolite InformationStructural formula
Name Gardaloside
(-)-Gardaloside
Formula C16H22O9
Mw 358.1263823
CAS RN 871589-24-1
C_ID C00042538 ,
InChIKey KGDIDCUROGOWDM-OWUIEOLBNA-N
InChICode InChI=1S/C16H22O9/c1-6-9(19)2-8-7(3-17)5-23-15(11(6)8)25-16-14(22)13(21)12(20)10(4-18)24-16/h3,5,8-16,18-22H,1-2,4H2/t8-,9+,10-,11-,12-,13+,14-,15+,16+/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](C2)O)C=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeGardenia jasminoides Ref.
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