input word = C00064268

Metabolite InformationStructural formula
Name beta-Anhydroepidigitoxigenin
Formula C23H32O3
Mw 356.23514489
CAS RN 3080-20-4
C_ID C00064268
InChIKey DPDKGFZJWHLPLO-UHFFFAOYSA-N
InChICode InChI=1S/C23H32O3/c1-22-10-7-15(24)13-14(22)3-4-16-18-5-6-19(17-9-12-26-21(17)25)23(18,2)11-8-20(16)22/h5,9,14-16,19-20,24H,3-4,6-8,10-13H2,1-2H3
SMILES CC12CCC3C(CCC4CC(O)CCC43C)C1=CCC2C1=CCOC1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeNerium oleander Ref.
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OrganismNerium oleander
ReferenceSingh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 2, (2020), Wiley-VCH Verlag GmbH and Co. KGaA.