input word = C00064556

Metabolite InformationStructural formula
Name 7-Hydroxyaloin B
Formula C21H22O10
Mw 434.12129692
CAS RN 82461-12-9
C_ID C00064556
InChIKey HKKOALUTOMGGMT-UUBBYFPSSA-N
InChICode InChI=1S/C21H22O10/c22-5-7-3-9-13(21-20(30)19(29)17(27)12(6-23)31-21)8-1-2-10(24)16(26)15(8)18(28)14(9)11(25)4-7/h1-4,12-13,17,19-27,29-30H,5-6H2/t12-,13-,17-,19+,20-,21+/m1/s1
SMILES O=C1c2c(O)cc(CO)cc2C(C2OC(CO)C(O)C(O)C2O)c2ccc(O)c(O)c21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsphodelaceaeAloe barbadensis Ref.
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