input word = C00022751

Metabolite InformationStructural formula
Name 6-Acetylisoandalusol
Formula C22H36O4
Mw 364.26135964
CAS RN 77877-70-4
C_ID C00022751 ,
InChIKey DSWULVFHDBUKET-WERGBCPLNA-N
InChICode InChI=1S/C22H36O4/c1-8-14(2)9-10-17-21(6)12-11-18(24)20(4,5)19(21)16(26-15(3)23)13-22(17,7)25/h8,16-19,24-25H,1-2,9-13H2,3-7H3/t16-,17+,18-,19-,21+,22+/m1/s1
SMILES C=CC(=C)CC[C@@H]1[C@@](C)(O)C[C@@H](OC(C)=O)C2C(C)(C)[C@H](O)CC[C@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSideritis foetens Ref.
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