input word = C00036637

Metabolite InformationStructural formula
Name 6'-O-alpha-D-glucopyranosylloganic acid
Formula C22H34O15
Mw 538.18977042
CAS RN 342047-45-4
C_ID C00036637 ,
InChIKey XCXZPJYVZYGBQA-QGRHEMCXNA-N
InChICode InChI=1S/C22H34O15/c1-6-9(24)2-7-8(19(31)32)4-33-20(12(6)7)37-22-18(30)16(28)14(26)11(36-22)5-34-21-17(29)15(27)13(25)10(3-23)35-21/h4,6-7,9-18,20-30H,2-3,5H2,1H3,(H,31,32)/t6-,7+,9-,10+,11+,12-,13+,14+,15-,16-,17+,18+,20-,21+,22-/m0/s1
SMILES C[C@@H]1[C@H]2[C@H](O[C@@H]3O[C@H](COC4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCornaceae/Aucubaceae/Garryaceae/HelwingiaceaeAlangium lamarckii Ref.
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