input word = C00023550

Metabolite InformationStructural formula
Name Teupyreinin
Formula C26H32O10
Mw 504.19954724
CAS RN 85564-02-9
C_ID C00023550 ,
InChIKey RCVVNRBNRKRZGL-MYIJQXPCNA-N
InChICode InChI=1S/C26H32O10/c1-14-9-22(35-17(4)29)25(12-32-15(2)27)20(5-6-21(34-16(3)28)26(25)13-33-26)24(14)10-19(36-23(24)30)18-7-8-31-11-18/h7-8,11,14,19-22H,5-6,9-10,12-13H2,1-4H3/t14-,19-,20-,21+,22+,24-,25+,26-/m1/s1
SMILES CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@]3(C[C@H](c4ccoc4)OC3=O)[C@H]1CC[C@H](OC(C)=O)[C@]21CO1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeTeucrium pyrenaicum Ref.
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