input word = C00050246

Metabolite InformationStructural formula
Name Teumassilenin A
(+)-Teumassilenin A
Formula C20H30O5
Mw 350.20932407
CAS RN 213483-20-6
C_ID C00050246 ,
InChIKey KWZXENAAJWFFES-GUGZVULPNA-N
InChICode InChI=1S/C20H30O5/c1-13-8-18(24)20(12-22)15(10-21)4-3-5-17(20)19(13,2)9-16(23)14-6-7-25-11-14/h6-7,10-11,13,15-18,22-24H,3-5,8-9,12H2,1-2H3/t13-,15-,16+,17-,18+,19+,20-/m1/s1
SMILES [C@H]1(C[C@@H]([C@]2([C@@H]([C@]1(C[C@H](O)c1cocc1)C)CCC[C@@H]2C=O)CO)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeTeucrium massiliense Ref.
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OrganismTeucrium massiliense
ReferenceFontana,J.Nat.Prod.,61,(1998),1242