input word = C00064177

Metabolite InformationStructural formula
Name 6'-O-Coumaroylaloesin
Formula C28H28O11
Mw 540.16316174
CAS RN 2226510-60-5
C_ID C00064177
InChIKey NUYUUMDHHLBRHZ-HLSNPBEDSA-N
InChICode InChI=1S/C28H28O11/c1-13-9-18(31)23(27-22(13)19(32)11-17(38-27)10-14(2)29)28-26(36)25(35)24(34)20(39-28)12-37-21(33)8-5-15-3-6-16(30)7-4-15/h3-9,11,20,24-26,28,30-31,34-36H,10,12H2,1-2H3/t20-,24-,25+,26-,28+/m1/s1
SMILES CC(=O)Cc1cc(=O)c2c(C)cc(O)c(C3OC(COC(=O)C=Cc4ccc(O)cc4)C(O)C(O)C3O)c2o1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsphodelaceaeAloe castanea Ref.
PlantaeAsphodelaceaeAloe vera Ref.
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