input word = C00000166

Metabolite InformationStructural formula
Name 1(10)E,8E-Millerdienolide
Formula C19H20O6
Mw 344.12598837
CAS RN 110601-25-7
C_ID C00000166 ,
InChIKey MFFGLCYYMGFWST-ZIPOXKDPNA-N
InChICode InChI=1S/C19H20O6/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/h7-9,15-17,21H,1,3-6H2,2H3/b13-7+,14-8+/t15-,16+,17+/m1/s1
SMILES C\1(=C\CCC(=C)[C@@H]([C@@H]2[C@@H](\C(=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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OrganismMilleria quinqueflora
ReferenceJakupovic,Phytochem.,26,(1987),2011