input word = C00003033

Metabolite InformationStructural formula
Name Cinerin I
Formula C20H28O3
Mw 316.20384476
CAS RN 97-12-1
C_ID C00003033 ,
InChIKey FMTFEIJHMMQUJI-VGHSVFINNA-N
InChICode InChI=1S/C20H28O3/c1-7-8-9-14-13(4)17(11-16(14)21)23-19(22)18-15(10-12(2)3)20(18,5)6/h7-8,10,15,17-18H,9,11H2,1-6H3/b8-7-/t15-,17-,18-/m0/s1
SMILES C1([C@H]([C@H]1C(=O)O[C@@H]1C(=C(C(=O)C1)C/C=C\C)C)C=C(C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeTanacetum cinerariifolium Ref.
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