input word = C00050343

Metabolite InformationStructural formula
Name Casearinone B
Formula C26H36O8
Mw 476.24101813
CAS RN 196090-47-8
C_ID C00050343 ,
InChIKey IHEGPSNNXNVYDQ-WIVKSRLXNA-N
InChICode InChI=1S/C26H36O8/c1-8-14(2)9-10-25(7)15(3)11-22(30)26-20(12-19(13-21(25)26)31-16(4)27)23(32-17(5)28)34-24(26)33-18(6)29/h8-9,15,19-21,23-24H,1,10-13H2,2-7H3/b14-9-/t15-,19-,20+,21+,23+,24-,25-,26-/m0/s1
SMILES C=C/C(C)=CC[C@]1(C)[C@H]2C[C@@H](OC(C)=O)C[C@@H]3[C@H](OC(C)=O)O[C@H](OC(C)=O)[C@@]32C(=O)C[C@@H]1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSamydaceaeCasearia guianensis Ref.
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