input word = C00011862

Metabolite InformationStructural formula
Name Eupalinin C
Formula C22H28O8
Mw 420.17841787
CAS RN 72984-74-8
C_ID C00011862 ,
InChIKey RDZDKJXIRQNZFT-HMWXVOALNA-N
InChICode InChI=1S/C22H28O8/c1-6-14(10-23)21(26)29-17-9-22(5)18(30-22)8-15(27-13(4)24)11(2)7-16-19(17)12(3)20(25)28-16/h6-7,15-19,23H,3,8-10H2,1-2,4-5H3/b11-7-,14-6+/t15-,16+,17-,18-,19-,22+/m1/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/C)/CO)/C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEupatorium glehnii Ref.
PlantaeAsteraceaeEupatorium lindleyanum Ref.
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