input word = C00023538

Metabolite InformationStructural formula
Name Fruticolone
Formula C22H30O6
Mw 390.20423869
CAS RN 67233-27-6
C_ID C00023538 ,
InChIKey WANDVJULGULKJH-OOQNGEPRNA-N
InChICode InChI=1S/C22H30O6/c1-14-10-18(25)22(13-27-15(2)23)19(17(24)5-8-21(22)12-28-21)20(14,3)7-4-16-6-9-26-11-16/h6,9,11,14,17,19,24H,4-5,7-8,10,12-13H2,1-3H3/t14-,17+,19-,20+,21+,22-/m1/s1
SMILES CC(=O)OC[C@@]12C(=O)C[C@@H](C)[C@](C)(CCc3ccoc3)[C@H]1[C@@H](O)CC[C@]21CO1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeTeucrium fruticans Ref.
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