input word = C00020534

Metabolite InformationStructural formula
Name Pericomin
Formula C25H30O8
Mw 458.19406794
CAS RN 126616-68-0
C_ID C00020534 ,
InChIKey SIOVFTYWYBXEQY-GNOCWXSCNA-N
InChICode InChI=1S/C25H30O8/c1-13(7-9-26)23(28)31-12-17-5-6-18-15(3)11-19(32-24(29)14(2)8-10-27)20-16(4)25(30)33-22(20)21(17)18/h5,7-8,18-22,26-27H,3-4,6,9-12H2,1-2H3/b13-7-,14-8+/t18-,19+,20-,21+,22+/m1/s1
SMILES C1=C([C@H]2[C@H](C1)C(=C)C[C@@H]([C@@H]1[C@@H]2OC(=O)C1=C)OC(=O)/C(=C/CO)/C)COC(=O)/C(=C\CO)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePericome caudata Ref.
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