input word = C00035238

Metabolite InformationStructural formula
Name 7beta-Hydroxyfruticolone
(+)-7beta-Hydroxyfruticolone
Formula C22H30O7
Mw 406.19915331
CAS RN 680188-35-6
C_ID C00035238 ,
InChIKey RDODYPGIYNDBAE-PJKGCQBENA-N
InChICode InChI=1S/C22H30O7/c1-13-17(25)19(26)22(12-28-14(2)23)18(16(24)5-8-21(22)11-29-21)20(13,3)7-4-15-6-9-27-10-15/h6,9-10,13,16-18,24-25H,4-5,7-8,11-12H2,1-3H3/t13-,16+,17-,18-,20+,21+,22+/m1/s1
SMILES [C@H]1([C@H]([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 L. Ref.
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