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 castanea Ref.
PlantaeAsphodelaceaeAloe ferox Ref.
PlantaeAsphodelaceaeAloe perryi Ref.
PlantaeAsphodelaceaeAloe spp. Ref.
PlantaeAsphodelaceaeAloe vera Ref.
PlantaeRhamnaceaeRhamnus cathartica Ref.
PlantaeRhamnaceaeRhamnus frangula Ref.
PlantaeRhamnaceaeRhamnus purshiana Ref.
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OrganismAloe perryi
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter43