input word = C00012094

Metabolite InformationStructural formula
Name Budlein A isobutyrate
Viguiepinin
Formula C19H22O7
Mw 362.13655306
CAS RN 69296-76-0
C_ID C00012094 ,
InChIKey IXKMCWHVMLFWQY-DGNDNOMRNA-N
InChICode InChI=1S/C19H22O7/c1-9(2)17(22)25-14-7-19(4)15(21)6-12(26-19)11(8-20)5-13-16(14)10(3)18(23)24-13/h5-6,9,13-14,16,20H,3,7-8H2,1-2,4H3/b11-5+/t13-,14+,16-,19+/m0/s1
SMILES [C@]12(C[C@H]([C@@H]3[C@H](/C=C(/C(=CC1=O)O2)\CO)OC(=O)C3=C)OC(=O)C(C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeViguiera pinnatilobata Ref.
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