input word = C00054567

Metabolite InformationStructural formula
Name 11-Deoxyaloin
Formula C21H22O8
Mw 402.13146768
CAS RN 18262-45-8
C_ID C00054567
InChIKey RZCVGOHQLRNJKQ-CGISPIQUSA-N
InChICode InChI=1S/C21H22O8/c1-8-5-10-14(21-20(28)19(27)17(25)13(7-22)29-21)9-3-2-4-11(23)15(9)18(26)16(10)12(24)6-8/h2-6,13-14,17,19-25,27-28H,7H2,1H3/t13-,14?,17-,19+,20-,21+/m1/s1
SMILES O=C1C2=C(C=C(C)C=C2O)C([C@@]3([H])[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)C4=CC=CC(O)=C41
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaeRumex vesicarius Ref.
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