input word = C00064312

Metabolite InformationStructural formula
Name Aloenin
Formula C19H22O10
Mw 410.12129692
CAS RN 38412-46-3
C_ID C00064312
InChIKey KFJNVVJUICKJEQ-LQDZTQBFSA-N
InChICode InChI=1S/C19H22O10/c1-8-3-9(21)4-11(15(8)12-5-10(26-2)6-14(22)27-12)28-19-18(25)17(24)16(23)13(7-20)29-19/h3-6,13,16-21,23-25H,7H2,1-2H3/t13-,16-,17+,18-,19-/m1/s1
SMILES COc1cc(-c2c(C)cc(O)cc2OC2OC(CO)C(O)C(O)C2O)oc(=O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsphodelaceaeAloe arborescens Ref.
PlantaeAsphodelaceaeAloe barbadensis Ref.
PlantaeAsphodelaceaeAloe elgonica Ref.
PlantaeAsphodelaceaeAloe marlothii Ref.
PlantaeAsphodelaceaeAloe nyeriensis Ref.
PlantaeAsphodelaceaeAloe nyeriensis var. kedongensis Ref.
PlantaeAsphodelaceaeAloe striata Ref.
PlantaeAsphodelaceaeAloe vera var. chinensis Ref.
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OrganismAloe nyeriensis
ReferenceSingh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 1, (2020), Wiley-VCH Verlag GmbH and Co. KGaA.