input word = C00020502

Metabolite InformationStructural formula
Name Eupahakonesin
Formula C22H26O8
Mw 418.16276781
CAS RN 82425-20-5
C_ID C00020502 ,
InChIKey QTJHMWUKJJQOAY-NRDVRCBKNA-N
InChICode InChI=1S/C22H26O8/c1-10-7-16(29-22(27)14(9-24)5-6-23)19-12(3)21(26)30-20(19)18-11(2)8-15(17(10)18)28-13(4)25/h5,8,15-20,23-24H,1,3,6-7,9H2,2,4H3/b14-5+/t15-,16+,17+,18-,19+,20+/m0/s1
SMILES C1=C([C@H]2[C@@H]([C@H]1OC(=O)C)C(=C)C[C@H]([C@@H]1[C@@H]2OC(=O)C1=C)OC(=O)/C(=C/CO)/CO)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEupatorium chinense Ref.
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OrganismEupatorium chinense
ReferenceIto,Phytochem.,21,(1982),715