input word = C00053271

Metabolite InformationStructural formula
Name Granatumflavanyl xyloside
Formula C21H22O13
Mw 482.10604079
CAS RN 1253646-31-9
C_ID C00053271
InChIKey QQCZNZXPXUYJPB-UZDICKIFSA-N
InChICode InChI=1S/C21H22O13/c1-31-12-3-7(22)6(2-8(12)23)11-4-9(24)13-15(27)16(28)20(18(30)19(13)33-11)34-21-17(29)14(26)10(25)5-32-21/h2-3,10-11,14,17,21-23,25-30H,4-5H2,1H3/t10-,11+,14+,17-,21+/m1/s1
SMILES O[C@H]1[C@H](OC2=C(O)C(O)=C(C(C[C@@H](C3=C(O)C=C(OC)C(O)=C3)O4)=O)C4=C2O)OC[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLythraceaePunica granatum Ref.
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