input word = C00002415

Metabolite InformationStructural formula
Name Aloesin
Aloe resin B
Formula C19H22O9
Mw 394.1263823
CAS RN 30861-27-9
C_ID C00002415 ,
InChIKey HKIKAXXIWJHWLY-CQDFSYGSNA-N
InChICode InChI=1S/C19H22O9/c1-7-3-10(22)14(19-17(26)16(25)15(24)12(6-20)28-19)18-13(7)11(23)5-9(27-18)4-8(2)21/h3,5,12,15-17,19-20,22,24-26H,4,6H2,1-2H3/t12-,15+,16+,17-,19+/m1/s1
SMILES c12c(c(cc(c1[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)C)c(=O)cc(o2)CC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsphodelaceaeAloe arborescens Ref.
PlantaeAsphodelaceaeAloe castanea Ref.
PlantaeAsphodelaceaeAloe saponaria Ref.
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OrganismAloe castanea
Referencevan Heerden,Phytochem.,55,(2000),117