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=C1C(=O)O[C@@H]2/C=C(CO)C3=CC(=O)[C@@](C)(C[C@@H](OC(=O)C(C)C)[C@@H]12)O3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeViguiera pinnatilobata Ref.
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