input word = C00055080

Metabolite InformationStructural formula
Name 2-Acetyl-4-beta-D-glucopyranosyl-1,3,5-benzenetriol.
Formula C14H18O9
Mw 330.09508217
CAS RN 88885-07-8
C_ID C00055080
InChIKey IWMUXTZLTOTAQO-MMKBDJJOSA-N
InChICode InChI=1S/C14H18O9/c1-4(16)8-5(17)2-6(18)9(11(8)20)14-13(22)12(21)10(19)7(3-15)23-14/h2,7,10,12-15,17-22H,3H2,1H3/t7-,10-,12+,13-,14+/m1/s1
SMILES OC1=C([C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C(O)=CC(O)=C1C(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaeSyzygium aromaticum Ref.
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OrganismSyzygium aromaticum
ReferenceOnodera, J. et al., Chem. Lett., 1983, 1487 (synth)