input word = C00064037

Metabolite InformationStructural formula
Name Plicataloside
Formula C23H30O13
Mw 514.16864105
CAS RN 175889-42-6
C_ID C00064037
InChIKey OTUBYPWVGQENIK-OOOSPDQTSA-N
InChICode InChI=1S/C23H30O13/c1-8-5-9-3-2-4-10(33-22-19(31)17(29)14(26)11(6-24)34-22)13(9)16(28)21(8)36-23-20(32)18(30)15(27)12(7-25)35-23/h2-5,11-12,14-15,17-20,22-32H,6-7H2,1H3/t11-,12-,14-,15-,17+,18+,19-,20-,22-,23+/m1/s1
SMILES Cc1cc2cccc(OC3OC(CO)C(O)C(O)C3O)c2c(O)c1OC1OC(CO)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsphodelaceaeAloe barbadensis Ref.
PlantaeAsphodelaceaeAloe ferox Ref.
PlantaeAsphodelaceaeAloe harlans Ref.
PlantaeAsphodelaceaeAloe hildebrandtii Ref.
PlantaeAsphodelaceaeAloe plicatilis 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.