input word = C00045182

Metabolite InformationStructural formula
Name 3-O-Deacetylteugracilin A
Formula C22H28O8
Mw 420.17841787
CAS RN 140366-55-8
C_ID C00045182 ,
InChIKey XXWCCBODRGGARI-UHFFFAOYNA-N
InChICode InChI=1S/C22H28O8/c1-12-7-18(25)21(10-28-13(2)23)16(3-4-17(24)22(21)11-29-22)20(12)8-15(30-19(20)26)14-5-6-27-9-14/h5-6,9,12,15-18,24-25H,3-4,7-8,10-11H2,1-2H3/t12-,15-,16+,17-,18+,20-,21-,22+/m1/s1
SMILES CC(=O)OCC12C(O)CC(C)C3(CC(c4ccoc4)OC3=O)C1CCC(O)C21CO1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeTeucrium montbretii ssp. libanoticum Ref.
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