input word = C00002415

Metabolite InformationStructural formula
Name Aloeresin
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 CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)c2o1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsphodelaceaeAloe arborescens Ref.
PlantaeAsphodelaceaeAloe barbadensis Ref.
PlantaeAsphodelaceaeAloe castanea Ref.
PlantaeAsphodelaceaeAloe elgonica Ref.
PlantaeAsphodelaceaeAloe ferox Ref.
PlantaeAsphodelaceaeAloe marlothii Ref.
PlantaeAsphodelaceaeAloe rupestris Ref.
PlantaeAsphodelaceaeAloe saponaria Ref.
PlantaeAsphodelaceaeAloe spp. Ref.
PlantaeAsphodelaceaeAloe striata Ref.
PlantaeAsphodelaceaeAloe vera Ref.
PlantaeAsphodelaceaeAloe vera var. chinensis Ref.
PlantaePolygonaceaeRumex nepalensis Ref.
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OrganismAloe vera
ReferenceSingh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 1, (2020), Wiley-VCH Verlag GmbH and Co. KGaA.