input word = C00035239

Metabolite InformationStructural formula
Name 8beta-Hydroxyfruticolone
Formula C22H30O7
Mw 406.19915331
CAS RN 66450-97-3
C_ID C00035239 ,
InChIKey LCWNGSXRFMOZDK-RFUQAYJFNA-N
InChICode InChI=1S/C22H30O7/c1-14(23)28-13-22-17(25)10-20(3,26)19(2,7-4-15-6-9-27-11-15)18(22)16(24)5-8-21(22)12-29-21/h6,9,11,16,18,24,26H,4-5,7-8,10,12-13H2,1-3H3/t16-,18+,19+,20-,21-,22+/m0/s1
SMILES C1[C@]([C@@]([C@@H]2[C@@](C1=O)([C@]1(CC[C@@H]2O)CO1)COC(=O)C)(CCc1cocc1)C)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeTeucrium fruticans Ref.
PlantaeLabiataeTeucrium fruticans L. Ref.
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