input word = C00052960

Metabolite InformationStructural formula
Name Cipatrijugin E
Formula C27H32O8
Mw 484.209718
CAS RN 1333110-83-0
C_ID C00052960
InChIKey GUIIYFKJDWALIL-YCFBINLASA-N
InChICode InChI=1S/C27H32O8/c1-14-16-11-25(4)23(15-7-8-33-13-15)34-21(30)12-27(14,25)35-19-10-18(28)24(2,3)17(9-20(29)32-6)26(19,5)22(16)31/h7-8,13,16-17,19,23H,1,9-12H2,2-6H3/t16-,17-,19-,23-,25-,26+,27-/m0/s1
SMILES C=C1[C@@H]2C[C@@]3(C)[C@H](c4ccoc4)OC(=O)C[C@]13O[C@H]1CC(=O)C(C)(C)[C@H](CC(=O)OC)[C@@]1(C)C2=O
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.