input word = C00036661

Metabolite InformationStructural formula
Name 7-O-Methylaloesin
(-)-7-O-Methylaloesin
Formula C20H24O9
Mw 408.14203237
CAS RN 105317-68-8
C_ID C00036661 ,
InChIKey CNMGVPHFWMWCGL-OPQWJMHZNA-N
InChICode InChI=1S/C20H24O9/c1-8-4-12(27-3)15(20-18(26)17(25)16(24)13(7-21)29-20)19-14(8)11(23)6-10(28-19)5-9(2)22/h4,6,13,16-18,20-21,24-26H,5,7H2,1-3H3/t13-,16-,17+,18-,20+/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]1O
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.
PlantaeAsphodelaceaeAloe rupestris Ref.
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OrganismAloe barbadensis
ReferenceSingh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 1, (2020), Wiley-VCH Verlag GmbH and Co. KGaA.