input word = C00012404

Metabolite InformationStructural formula
Name Eremantholide C
Formula C19H22O6
Mw 346.14163844
CAS RN 69883-97-2
C_ID C00012404 ,
InChIKey YEIAHHGCPUIGOQ-JVJSSCMPNA-N
InChICode InChI=1S/C19H22O6/c1-9(2)19(22)18(5)15-12(23-16(18)21)6-10(3)11-7-14(20)17(4,24-11)8-13(15)25-19/h6-7,12-13,15,22H,1,8H2,2-5H3/b10-6-/t12?,13-,15-,17+,18+,19+/m0/s1
SMILES C=C(C)[C@@]1(O)O[C@H]2C[C@@]3(C)OC(=CC3=O)/C(C)=C[C@H]3OC(=O)[C@@]1(C)[C@H]23
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEremanthus elaeagnus Ref.
PlantaeAsteraceaeEremanthus goyazensis Ref.
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