input word = C00012224

Metabolite InformationStructural formula
Name Eurecurvin
Formula C22H30O8
Mw 422.19406794
CAS RN 66922-25-6
C_ID C00012224 ,
InChIKey YZCAXCLLBWHFLS-DNBHSHQDNA-N
InChICode InChI=1S/C22H30O8/c1-6-11(2)21(26)29-18-7-12(3)16(25)9-17(28-14(5)24)15(10-23)8-19-20(18)13(4)22(27)30-19/h7-8,11,16-20,23,25H,4,6,9-10H2,1-3,5H3/b12-7-,15-8-/t11-,16-,17-,18-,19-,20+/m0/s1
SMILES [C@@H]12[C@@H](OC(=O)C1=C)/C=C(\[C@H](C[C@@H](/C(=C\[C@@H]2OC(=O)[C@H](CC)C)/C)O)OC(=O)C)/CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEupatorium recurvens Ref.
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