input word = C00036660

Metabolite InformationStructural formula
Name 7-O-Methylaloeresin A
Formula C29H30O11
Mw 554.1788118
CAS RN 329361-25-3
C_ID C00036660 ,
InChIKey WRLXHKDQSQMWSH-CBRCYODMNA-N
InChICode InChI=1S/C29H30O11/c1-14-10-20(37-3)24(27-23(14)19(33)12-18(38-27)11-15(2)31)28-29(26(36)25(35)21(13-30)39-28)40-22(34)9-6-16-4-7-17(32)8-5-16/h4-10,12,21,25-26,28-30,32,35-36H,11,13H2,1-3H3/b9-6+/t21-,25-,26+,28+,29-/m1/s1
SMILES COc1cc(C)c2c(=O)cc(CC(C)=O)oc2c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC(=O)/C=C/c1ccc(O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsphodelaceaeAloe barbadensis Ref.
PlantaeAsphodelaceaeAloe ferox Ref.
PlantaeAsphodelaceaeAloe harlans Ref.
PlantaeAsphodelaceaeAloe hildebrandtii Ref.
PlantaeAsphodelaceaeAloe marlothii Ref.
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OrganismAloe hildebrandtii
ReferenceSingh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 1, (2020), Wiley-VCH Verlag GmbH and Co. KGaA.