input word = C00003034

Metabolite InformationStructural formula
Name Cinerin II
Formula C21H28O5
Mw 360.193674
CAS RN 121-20-0
C_ID C00003034 ,
InChIKey SHCRDCOTRILILT-JQNCUDLKNA-N
InChICode InChI=1S/C21H28O5/c1-7-8-9-14-13(3)17(11-16(14)22)26-20(24)18-15(21(18,4)5)10-12(2)19(23)25-6/h7-8,10,15,17-18H,9,11H2,1-6H3/b8-7-,12-10+/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(=O)OC)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeTanacetum cinerariifolium Ref.
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OrganismTanacetum cinerariifolium
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter48