input word = C00036423

Metabolite InformationStructural formula
Name 1alpha,4alpha,10alpha-Trihydroxy-9alpha-angeloyloxyguaia-2,11(13)-dien-12,6alpha-olide
Formula C20H26O7
Mw 378.16785319
CAS RN 160695-46-5
C_ID C00036423 ,
InChIKey SQRSEJMUWJOLCL-PATYOFLTNA-N
InChICode InChI=1S/C20H26O7/c1-6-10(2)16(21)26-13-9-12-11(3)17(22)27-14(12)15-18(4,23)7-8-20(15,25)19(13,5)24/h6-8,12-15,23-25H,3,9H2,1-2,4-5H3/b10-6-/t12-,13+,14-,15-,18-,19+,20+/m0/s1
SMILES C=C1C(=O)O[C@H]2[C@H]1C[C@@H](OC(=O)/C(C)=CC)[C@@](C)(O)[C@]1(O)C=C[C@@](C)(O)[C@H]21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAjania fruticulosa Ref.
zoom in