input word = C00050248

Metabolite InformationStructural formula
Name Teumassilenin C
(-)-Teumassilenin C
Formula C20H30O5
Mw 350.20932407
CAS RN 213483-22-8
C_ID C00050248 ,
InChIKey QTKUKPZFMJWCPE-IOWJAAHSNA-N
InChICode InChI=1S/C20H30O5/c1-13-8-17(23)20-12-25-19(20,11-21)6-3-4-16(20)18(13,2)9-15(22)14-5-7-24-10-14/h5,7,10,13,15-17,21-23H,3-4,6,8-9,11-12H2,1-2H3/t13-,15+,16-,17+,18+,19+,20+/m1/s1
SMILES C1[C@H]([C@@]([C@@H]2[C@@]3([C@H]1O)[C@@](CCC2)(OC3)CO)(C[C@H](O)c1ccoc1)C)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