input word = C00022215

Metabolite InformationStructural formula
Name Cycloschkuhriadiol acetate
Formula C22H36O5
Mw 380.25627426
CAS RN 77129-55-6
C_ID C00022215 ,
InChIKey OLZTYAABSYLPBY-XGMKRDNWNA-N
InChICode InChI=1S/C22H36O5/c1-14(23)26-18-22(17(24)13-25-18)12-8-16-20(4)10-6-9-19(2,3)15(20)7-11-21(16,5)27-22/h15-18,24H,6-13H2,1-5H3/t15-,16+,17+,18-,20-,21+,22-/m1/s1
SMILES C1CC([C@@H]2[C@@](C1)([C@H]1[C@](CC2)(O[C@]2(CC1)[C@H](CO[C@@H]2OC(=O)C)O)C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSchkuhria multiflora Ref.
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OrganismSchkuhria multiflora
ReferenceBohlmann,Phytochem.,19,(1980),881