input word = C00039845

Metabolite InformationStructural formula
Name Neridienone A
Formula C21H26O3
Mw 326.1881947
CAS RN 53823-05-5
C_ID C00039845 ,
InChIKey UYGZZVKOVWATFR-BAYAHIKVNA-N
InChICode InChI=1S/C21H26O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)18(15)11-19(24)21(16,17)3/h4-6,10,15,17-19,24H,7-9,11H2,1-3H3/t15-,17-,18-,19+,20-,21+/m0/s1
SMILES C1C(=O)C=C2[C@](C1)([C@@H]1[C@@H](C=C2)[C@H]2[C@]([C@@H](C1)O)(C(=CC2)C(=O)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAnodendron affine Ref.
PlantaeApocynaceaeNerium odorum Sol. Ref.
PlantaeApocynaceaeNerium oleander Ref.
PlantaeApocynaceaePeriploca sepium Ref.
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OrganismNerium oleander
ReferenceBai,J.Nat.Prod.,70,(2007),14