input word = C00000167

Metabolite InformationStructural formula
Name Eupalinin B
Formula C22H28O8
Mw 420.17841787
CAS RN 72947-93-4
C_ID C00000167 ,
InChIKey BYUKSWNOQHMDGX-QYAYHKMJNA-N
InChICode InChI=1S/C22H28O8/c1-11(6-7-23)20(25)29-17-10-22(5)18(30-22)9-15(27-14(4)24)12(2)8-16-19(17)13(3)21(26)28-16/h6,8,15-19,23H,3,7,9-10H2,1-2,4-5H3/b11-6+,12-8-/t15-,16-,17+,18+,19+,22-/m0/s1
SMILES C1[C@@H](/C(=C\[C@@H]2OC(=O)C(=C)[C@H]2[C@@H](C[C@]2([C@@H]1O2)C)OC(=O)/C(=C/CO)/C)/C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEupatorium lindleyanum Ref.
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