input word = C00023530

Metabolite InformationStructural formula
Name Teucrin H3
19-Acetylgnaphalin (diterpene)
Formula C22H26O7
Mw 402.16785319
CAS RN 64756-04-3
C_ID C00023530 ,
InChIKey IWEPQKLANYKTAS-PYLUAJRYNA-N
InChICode InChI=1S/C22H26O7/c1-13-8-18(24)22(12-27-14(2)23)17(4-3-6-20(22)11-28-20)21(13)9-16(29-19(21)25)15-5-7-26-10-15/h5,7,10,13,16-17H,3-4,6,8-9,11-12H2,1-2H3/t13-,16+,17-,20-,21-,22+/m1/s1
SMILES C1C[C@@]2([C@]3([C@H](C1)[C@]1([C@@H](CC3=O)C)C[C@H](OC1=O)c1cocc1)COC(=O)C)OC2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeTeucrium hyrcanicum Ref.
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