input word = C00012154

Metabolite InformationStructural formula
Name Tagitinin A
Formula C19H28O7
Mw 368.18350325
CAS RN 59979-61-2
C_ID C00012154 ,
InChIKey HREHFPZHVCNOMQ-ZKQVHJEONA-N
InChICode InChI=1S/C19H28O7/c1-9(2)16(21)25-13-7-18(5)14(20)8-19(23,26-18)10(3)6-12-15(13)11(4)17(22)24-12/h9-10,12-15,20,23H,4,6-8H2,1-3,5H3/t10-,12+,13+,14+,15+,18+,19+/m0/s1
SMILES C=C1C(=O)O[C@@H]2C[C@H](C)[C@@]3(O)C[C@@H](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
PlantaeAsteraceaeTithonia diversifolia Ref.
zoom in