input word = C00036578

Metabolite InformationStructural formula
Name 4-Hydroxyacetophenone 4-O-(6'-O-beta-D-apiofuranosyl)-beta-D-glucopyranoside
Formula C19H26O11
Mw 430.14751167
CAS RN 219316-62-8
C_ID C00036578 ,
InChIKey YESNEZCTDYCURG-ISAAROTHNA-N
InChICode InChI=1S/C19H26O11/c1-9(21)10-2-4-11(5-3-10)29-17-15(24)14(23)13(22)12(30-17)6-27-18-16(25)19(26,7-20)8-28-18/h2-5,12-18,20,22-26H,6-8H2,1H3/t12-,13-,14+,15-,16-,17-,18-,19-/m1/s1
SMILES O1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1Oc1ccc(cc1)C(=O)C)O)O)O)CO[C@@H]1OC[C@@]([C@@H]1O)(CO)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia officinalis Ref.
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OrganismSalvia officinalis
ReferenceLu,Phytochem.,59,(2002),263