input word = C00063835

Metabolite InformationStructural formula
Name 5-Hydroxyaloin A
Formula C21H22O10
Mw 434.12129692
CAS RN 138373-23-6
C_ID C00063835
InChIKey LJCDCYLYUCZUGL-UQBALUMJSA-N
InChICode InChI=1S/C21H22O10/c22-5-7-3-8-13(11(26)4-7)18(28)16-10(25)2-1-9(24)15(16)14(8)21-20(30)19(29)17(27)12(6-23)31-21/h1-4,12,14,17,19-27,29-30H,5-6H2/t12-,14-,17-,19+,20-,21+/m1/s1
SMILES O=C1c2c(O)cc(CO)cc2C(C2OC(CO)C(O)C(O)C2O)c2c(O)ccc(O)c21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsphodelaceaeAloe marlothii Ref.
PlantaeAsphodelaceaeAloe microstigma Ref.
PlantaeAsphodelaceaeAloe rupestris Ref.
PlantaeAsphodelaceaeAloe spp. Ref.
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