input word = C00039846

Metabolite InformationStructural formula
Name Neridienone B
Formula C21H28O4
Mw 344.19875938
CAS RN 61671-56-5
C_ID C00039846 ,
InChIKey NCBLKWGLSQARQJ-FZJLGUFGNA-N
InChICode InChI=1S/C21H28O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(24)11-22)21(15,2)19(25)10-17(14)20/h3-4,9,14-18,22,24H,5-8,10-11H2,1-2H3/t14-,15-,16+,17-,18+,20-,21-/m0/s1
SMILES C1C(=O)C=C2[C@](C1)([C@@H]1[C@@H](C=C2)[C@H]2[C@](C(=O)C1)([C@H](CC2)[C@H](O)CO)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeNerium odorum Sol. Ref.
PlantaeApocynaceaeNerium oleander Ref.
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