input word = C00020959

Metabolite InformationStructural formula
Name 3-O-TigloylCarolenalin
Formula C20H28O5
Mw 348.193674
CAS RN 79236-46-7
C_ID C00020959 ,
InChIKey LGIHDROQWYPYRA-JVVUKBFBNA-N
InChICode InChI=1S/C20H28O5/c1-6-10(2)18(21)25-17-9-13-11(3)7-16-14(12(4)19(22)24-16)8-15(13)20(17,5)23/h6-7,12-17,23H,8-9H2,1-5H3/b10-6+/t12-,13?,14+,15+,16-,17+,20-/m0/s1
SMILES C/C=C(C)C(=O)O[C@@H]1C[C@H]2C(C)=C[C@H]3OC(=O)[C@@H](C)[C@H]3C[C@H]2[C@]1(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHelenium autumnale Ref.
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