input word = C00014109

Metabolite InformationStructural formula
Name Aloe resin A
Formula C28H28O11
Mw 540.16316174
CAS RN 74545-79-2
C_ID C00014109 ,
InChIKey QACRJXSXSVUOFZ-GVBAHYECNA-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-/m0/s1
SMILES CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3OC(CO)[C@@H](O)[C@H](O)C3OC(=O)/C=C/c3ccc(O)cc3)c2o1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsphodelaceaeAloe sp. Ref.
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