input word = C00011856

Metabolite InformationStructural formula
Name Tagitinin C
Formula C19H24O6
Mw 348.1572885
CAS RN 59979-56-5
C_ID C00011856 ,
InChIKey DUQSSEQKLJQACA-SAGBPZPINA-N
InChICode InChI=1S/C19H24O6/c1-10(2)17(21)25-15-9-19(5,23)7-6-13(20)11(3)8-14-16(15)12(4)18(22)24-14/h6-8,10,14-16,23H,4,9H2,1-3,5H3/b7-6+,11-8-/t14-,15+,16-,19-/m0/s1
SMILES C=C1C(=O)O[C@@H]2/C=C(/C)C(=O)/C=C/[C@](C)(O)C[C@@H](OC(=O)C(C)C)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeTithonia diversifolia Ref.
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