input word = C00030435

Metabolite InformationStructural formula
Name Guaiaglehnin A
Formula C22H26O8
Mw 418.16276781
CAS RN 1050279-50-9
C_ID C00030435 ,
InChIKey QJWIYDRMCKAHEA-CALYSZETNA-N
InChICode InChI=1S/C22H26O8/c1-11-4-5-16-15(10-28-13(3)25)8-17(29-22(27)14(9-24)6-7-23)19-12(2)21(26)30-20(19)18(11)16/h4,6,17-20,23-24H,2,5,7-10H2,1,3H3/b14-6+/t17-,18+,19-,20-/m1/s1
SMILES C=C1C(=O)O[C@@H]2[C@H]3C(C)=CCC3=C(COC(C)=O)C[C@@H](OC(=O)/C(=C/CO)CO)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEupatorium glehnii Ref.
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