input word = C00023176

Metabolite InformationStructural formula
Name Austroinulin 6-O-acetate
Formula C22H36O4
Mw 364.26135964
CAS RN 75207-46-4
C_ID C00023176 ,
InChIKey COFSRJDBTTZNBZ-CDCLLMSJNA-N
InChICode InChI=1S/C22H36O4/c1-8-14(2)10-11-16-21(6)13-9-12-20(4,5)18(21)17(26-15(3)23)19(24)22(16,7)25/h8,10,16-19,24-25H,1,9,11-13H2,2-7H3/b14-10-/t16-,17-,18+,19+,21-,22+/m1/s1
SMILES C=C/C(C)=CC[C@H]1[C@](C)(O)[C@@H](O)[C@H](OC(C)=O)C2C(C)(C)CCC[C@@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeStevia rebaudiana Ref.
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