input word = C00052920

Metabolite InformationStructural formula
Name Cipadonoid B
Formula C27H32O6
Mw 452.21988875
CAS RN 1187952-19-7
C_ID C00052920
InChIKey FXAFBVCVQVUWAF-FRXKJDLSSA-N
InChICode InChI=1S/C27H32O6/c1-16-18(27(5)20(14-22(29)31-6)25(2,3)10-8-21(27)28)7-11-26(4)19(16)13-23(30)33-24(26)17-9-12-32-15-17/h8-10,12-13,15,18,20,24H,1,7,11,14H2,2-6H3/t18-,20-,24-,26+,27+/m0/s1
SMILES C=C1C2=CC(=O)O[C@@H](c3ccoc3)[C@]2(C)CC[C@@H]1[C@@]1(C)C(=O)C=CC(C)(C)[C@@H]1CC(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeCipadessa baccifera Ref.
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OrganismCipadessa baccifera
ReferenceKumar, K. et al., J. Pharm. Biomed. Anal., 152, (2018), 224-233.