input word = C00023548

Metabolite InformationStructural formula
Name Teumarin
Formula C22H28O8
Mw 420.17841787
CAS RN 90851-19-7
C_ID C00023548 ,
InChIKey QBUFIBYHAIKJCS-OYEDATQINA-N
InChICode InChI=1S/C22H28O8/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/h3-4,9,12,15-18,24-25H,5-8,10-11H2,1-2H3/t12-,15+,16+,17-,18-,20+,21-,22+/m1/s1
SMILES [C@H]1(C[C@]2([C@]3([C@H](C1)[C@]1([C@@H](C[C@H]3O)C)C[C@H](OC1=O)c1cocc1)COC(=O)C)OC2)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeTeucrium marum Ref.
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OrganismTeucrium marum
ReferenceSavona,Phytochem.,23,(1984),611