input word = C00050247

Metabolite InformationStructural formula
Name Teumassilenin B
(+)-Teumassilenin B
Formula C20H30O5
Mw 350.20932407
CAS RN 213483-21-7
C_ID C00050247 ,
InChIKey TWSKOIUXIBVCDJ-GDNWYIMRNA-N
InChICode InChI=1S/C20H30O5/c1-12-8-17(22)20-11-25-18(23)14(20)4-3-5-16(20)19(12,2)9-15(21)13-6-7-24-10-13/h6-7,10,12,14-18,21-23H,3-5,8-9,11H2,1-2H3/t12-,14+,15+,16-,17+,18-,19+,20+/m1/s1
SMILES C1[C@H]([C@@]([C@@H]2[C@@]3([C@H]1O)[C@@H](CCC2)[C@@H](OC3)O)(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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