input word = C00012140

Metabolite InformationStructural formula
Name Tagitinin B
Formula C19H26O7
Mw 366.16785319
CAS RN 59979-59-8
C_ID C00012140 ,
InChIKey LTBIOJZYGWJYTH-QRHPZKPFNA-N
InChICode InChI=1S/C19H26O7/c1-9(2)16(21)25-13-7-18(5)8-14(20)19(23,26-18)10(3)6-12-15(13)11(4)17(22)24-12/h6,9,12-15,20,23H,4,7-8H2,1-3,5H3/b10-6-/t12-,13-,14+,15+,18-,19+/m1/s1
SMILES C\1=C(\[C@]2(O)O[C@](C[C@H]([C@@H]3[C@@H]1OC(=O)C3=C)OC(=O)C(C)C)(C[C@@H]2O)C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeTithonia diversifolia Ref.
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