input word = C00058349

Metabolite InformationStructural formula
Name Adynerigenin
Formula C23H32O4
Mw 372.23005951
CAS RN 6246-57-7
C_ID C00058349
InChIKey NPQJYTKOLRTWRO-BGKNSHFJSA-N
InChICode InChI=1S/C23H32O4/c1-20-7-4-16(24)12-15(20)3-9-22-18(20)6-8-21(2)17(5-10-23(21,22)27-22)14-11-19(25)26-13-14/h11,15-18,24H,3-10,12-13H2,1-2H3/t15-,16+,17-,18-,20+,21-,22+,23-/m1/s1
SMILES C[C@]12CC[C@H](O)C[C@@]1([H])CC[C@]34[C@]2([H])CC[C@@]5([C@](C(CO6)=CC6=O)([H])CC[C@@]53O4)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeNerium odorum Ref.
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OrganismNerium odorum
ReferenceF. Abe et al., Chem. Abs., (1992), 117, 128181.