input word = C00002788

Metabolite InformationStructural formula
Name Alkannin beta,beta-dimethylacrylate
Formula C21H22O6
Mw 370.14163844
CAS RN 5162-01-6
C_ID C00002788 ,
InChIKey BATBOVZTQBLKIL-AGDOHHJYNA-N
InChICode InChI=1S/C21H22O6/c1-11(2)5-8-17(27-18(25)9-12(3)4)13-10-16(24)19-14(22)6-7-15(23)20(19)21(13)26/h5-7,9-10,17,22-23H,8H2,1-4H3/t17-/m0/s1
SMILES c1cc(c2c(c1O)C(=O)C=C(C2=O)[C@H](CC=C(C)C)OC(=O)C=C(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBoraginaceaeArnebia nobilis Ref.
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OrganismArnebia nobilis
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter43