input word = C00050858

Metabolite InformationStructural formula
Name Isoaloeresin A
Formula C28H28O11
Mw 540.16316174
CAS RN 115940-94-8
C_ID C00050858
InChIKey QACRJXSXSVUOFZ-IKTLPBAJSA-N
InChICode InChI=1S/C28H28O11/c1-13-9-18(32)23(26-22(13)19(33)11-17(37-26)10-14(2)30)27-28(25(36)24(35)20(12-29)38-27)39-21(34)8-5-15-3-6-16(31)7-4-15/h3-9,11,20,24-25,27-29,31-32,35-36H,10,12H2,1-2H3/b8-5-/t20-,24-,25+,27+,28-/m1/s1
SMILES CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3OC(=O)/C=Cc3ccc(O)cc3)c2o1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsphodelaceaeAloe ferox Ref.
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OrganismAloe ferox
ReferenceChinese Materia Medica Editing Committee of the National Chinese Medicine and Pharmacology Bureau, Chinese Materia Medica (ZHONG HUA BEN CAO), Vol.1-Vol.30, Shanghai Science and technology Press, Shanghai, (1999)