input word = C00036708

Metabolite InformationStructural formula
Name Aloin B
Isobarbaloin
Formula C21H22O9
Mw 418.1263823
CAS RN 28371-16-6
C_ID C00036708 ,
InChIKey AFHJQYHRLPMKHU-PYNDDRRPNA-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 O=C1c2c(O)cccc2[C@@H]([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2cc(CO)cc(O)c21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsphodelaceaeAloe arborescens Ref.
PlantaeAsphodelaceaeAloe barbadensis Ref.
PlantaeAsphodelaceaeAloe boylei Ref.
PlantaeAsphodelaceaeAloe castanea Ref.
PlantaeAsphodelaceaeAloe marlothii Ref.
PlantaeAsphodelaceaeAloe spp. Ref.
PlantaeAsphodelaceaeAloe striata Ref.
PlantaeAsphodelaceaeAloe vera var. chinensis Ref.
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