input word = C00050859

Metabolite InformationStructural formula
Name Isoaloesin
Formula C19H22O9
Mw 394.1263823
CAS RN 119256-74-5
C_ID C00050859
InChIKey CECUXOBYJYIEIX-WAZCFMHENA-N
InChICode InChI=1S/C19H22O9/c1-7(21)3-9-4-10(22)14-8(2)15(11(23)5-12(14)27-9)19-18(26)17(25)16(24)13(6-20)28-19/h4-5,13,16-20,23-26H,3,6H2,1-2H3/t13-,16-,17+,18-,19+/m1/s1
SMILES CC(=O)Cc1cc(=O)c2c(C)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsphodelaceaeAloe vera Ref.
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OrganismAloe vera
ReferenceYuan, et al., China Journal of Chinese Materia Medica(Zhongguo Zhongyao Zazhi), 18, (1993), 609