input word = C00050250

Metabolite InformationStructural formula
Name Teumassin
Formula C22H26O8
Mw 418.16276781
CAS RN 146428-63-9
C_ID C00050250 ,
InChIKey PPVSMIDZHQQZSB-UHFFFAOYNA-N
InChICode InChI=1S/C22H26O8/c1-12-5-18(25)22(11-28-13(2)23)17(6-15(24)7-20(22)10-29-20)21(12)8-16(30-19(21)26)14-3-4-27-9-14/h3-4,9,12,15-17,24H,5-8,10-11H2,1-2H3/t12-,15+,16+,17+,20+,21-,22-/m0/s1
SMILES [C@@H]1(C[C@]2([C@]3([C@H](C1)[C@@]1([C@H](CC3=O)C)C[C@@H](OC1=O)c1cocc1)COC(=O)C)CO2)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeTeucrium massiliense Ref.
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