input word = C00011848

Metabolite InformationStructural formula
Name 1(10)E-Millerenolide
Formula C19H22O6
Mw 346.14163844
CAS RN 110601-24-6
C_ID C00011848 ,
InChIKey WUHOVZVCQSCCNU-KEDFGHFRNA-N
InChICode InChI=1S/C19H22O6/c1-10(2)18(22)24-14-8-13(9-20)7-5-6-11(3)16(21)17-15(14)12(4)19(23)25-17/h7,9,14-17,21H,1,3-6,8H2,2H3/b13-7+/t14-,15-,16+,17+/m1/s1
SMILES C\1(=C\CCC(=C)[C@@H]([C@@H]2[C@@H]([C@@H](C1)OC(=O)C(=C)C)C(=C)C(=O)O2)O)/C=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeMilleria quinqueflora Ref.
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