input word = C00002797

Metabolite InformationStructural formula
Name Aloin
Aloin A
Barbaloin
Formula C21H22O9
Mw 418.1263823
CAS RN 1415-73-2
C_ID C00002797 ,
InChIKey AFHJQYHRLPMKHU-TUIPODRONA-N
InChICode InChI=1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2/t13-,14-,17+,19+,20-,21+/m1/s1
SMILES c1ccc2c(c1O)C(=O)c1c([C@@H]2[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)cc(cc1O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsphodelaceaeAloe arborescens Ref.
PlantaeAsphodelaceaeAloe barbadensis Ref.
PlantaeAsphodelaceaeAloe berhana Ref.
PlantaeAsphodelaceaeAloe boylei Ref.
PlantaeAsphodelaceaeAloe castanea Ref.
PlantaeAsphodelaceaeAloe ferox Ref.
PlantaeAsphodelaceaeAloe marlothii Ref.
PlantaeAsphodelaceaeAloe megalacantha Ref.
PlantaeAsphodelaceaeAloe perryi Ref.
PlantaeAsphodelaceaeAloe pulcherrima Ref.
PlantaeAsphodelaceaeAloe rivae Ref.
PlantaeAsphodelaceaeAloe sabaea Ref.
PlantaeAsphodelaceaeAloe saponaria Ref.
PlantaeAsphodelaceaeAloe spp. Ref.
PlantaeAsphodelaceaeAloe striata Ref.
PlantaeAsphodelaceaeAloe vera Ref.
PlantaePolygonaceaeRumex acetosa Ref.
PlantaePolygonaceaeRumex acetosella Ref.
PlantaePolygonaceaeRumex confertus Ref.
PlantaePolygonaceaeRumex crispus Ref.
PlantaePolygonaceaeRumex hydrolapathum Ref.
PlantaePolygonaceaeRumex obtusifolius Ref.
PlantaeRhamnaceaeRhamnus cathartica Ref.
PlantaeRhamnaceaeRhamnus frangula Ref.
PlantaeRhamnaceaeRhamnus purshiana Ref.
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OrganismAloe boylei
ReferenceSingh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 1, (2020), Wiley-VCH Verlag GmbH and Co. KGaA.