input word = C00049926

Metabolite InformationStructural formula
Name 1-Acetyltagitinin A
Formula C21H30O8
Mw 410.19406794
CAS RN 60547-63-9
C_ID C00049926 ,
InChIKey MFYNTWZAYXDJQB-ISPZHXRCNA-N
InChICode InChI=1S/C21H30O8/c1-10(2)18(23)28-15-8-20(6)16(26-13(5)22)9-21(25,29-20)11(3)7-14-17(15)12(4)19(24)27-14/h10-11,14-17,25H,4,7-9H2,1-3,5-6H3/t11-,14+,15+,16+,17+,20+,21-/m0/s1
SMILES C1[C@H]([C@]2(C[C@H]([C@H]3[C@@H](C[C@@H]([C@@]1(O)O2)C)OC(=O)C3=C)OC(=O)C(C)C)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeTithonia diversifolia Ref.
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