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@H]12[C@@H]([C@@H](CC(=C3[C@@H]1C(=CC3)C)COC(=O)C)OC(=O)/C(=C/CO)/CO)C(=C)C(=O)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEupatorium glehnii Ref.
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