input word = C00035288

Metabolite InformationStructural formula
Name Deacetylfruticolone
(+)-Deacetylfruticolone
(+)-Deacetylfruticolone
Formula C20H28O5
Mw 348.193674
CAS RN 680188-36-7
C_ID C00035288 ,
InChIKey VGSNGCOAALEARN-IQOWHOAVNA-N
InChICode InChI=1S/C20H28O5/c1-13-9-16(23)20(11-21)17(15(22)4-7-19(20)12-25-19)18(13,2)6-3-14-5-8-24-10-14/h5,8,10,13,15,17,21-22H,3-4,6-7,9,11-12H2,1-2H3/t13-,15+,17-,18+,19+,20-/m1/s1
SMILES [C@H]1(CC(=O)[C@@]2([C@@H]([C@]1(CCc1cocc1)C)[C@H](CC[C@]12OC1)O)CO)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeTeucrium fruticans L. Ref.
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OrganismTeucrium fruticans L.
ReferenceColl,Phytochem.,66,(2005),2298