input word = C00012984

Metabolite InformationStructural formula
Name (+)-Tirotundifolin A
Tirotundifolin A
Formula C20H26O6
Mw 362.17293856
CAS RN 92356-89-3
C_ID C00012984 ,
InChIKey OQULIVDFDLHSKR-UHFFFAOYNA-N
InChICode InChI=1S/C20H26O6/c1-9-6-7-13(21)19(4)8-12(24-18(23)20(5)11(3)26-20)14-10(2)17(22)25-16(14)15(9)19/h11-16,21H,1-2,6-8H2,3-5H3/t11-,12-,13+,14+,15+,16-,19+,20-/m0/s1
SMILES C=C1C(=O)OC2C1C(OC(=O)C1(C)OC1C)CC1(C)C(O)CCC(=C)C21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeTithonia rotundifolia Ref.
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