input word = C00023525

Metabolite InformationStructural formula
Name Teumassilin
Formula C20H30O5
Mw 350.20932407
CAS RN 92356-81-5
C_ID C00023525 ,
InChIKey OWVSNNLZAAWRHF-IOWJAAHSNA-N
InChICode InChI=1S/C20H30O5/c1-13-8-17(23)20(11-21)16(4-3-6-19(20)12-25-19)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 C[C@@H]1C[C@H](O)[C@]2(CO)[C@H](CCC[C@]23CO3)[C@@]1(C)C[C@H](O)c1ccoc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeTeucrium massiliense Ref.
zoom in