input word = C00063843

Metabolite InformationStructural formula
Name Nataloin
Formula C21H22O9
Mw 418.1263823
CAS RN 1400-57-3
C_ID C00063843
InChIKey PCPHLXZWNQEQRB-UHFFFAOYSA-N
InChICode InChI=1S/C21H22O9/c1-7-4-9-13(21-20(29)19(28)17(26)12(6-22)30-21)8-2-3-10(23)16(25)15(8)18(27)14(9)11(24)5-7/h2-5,12-13,17,19-26,28-29H,6H2,1H3
SMILES Cc1cc(O)c2c(c1)C(C1OC(CO)C(O)C(O)C1O)c1ccc(O)c(O)c1C2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsphodelaceaeAloe barbadensis Ref.
PlantaeAsphodelaceaeAloe berhana Ref.
PlantaeAsphodelaceaeAloe megalacantha Ref.
PlantaeAsphodelaceaeAloe pulcherrima Ref.
PlantaeAsphodelaceaeAloe rivae Ref.
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OrganismAloe pulcherrima
ReferenceSingh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 1, (2020), Wiley-VCH Verlag GmbH and Co. KGaA.