input word = C00023471

Metabolite InformationStructural formula
Name Teuvincentin A
Formula C24H29ClO9
Mw 496.15001024
CAS RN 124192-96-7
C_ID C00023471 ,
InChIKey KPNUSXYEBKSOIF-HDZYDABDNA-N
InChICode InChI=1S/C24H29ClO9/c1-13-19(28)20(29)24(12-32-14(2)26)18(5-4-7-22(24,30)11-25)23(13)9-17(16-6-8-31-10-16)34-21(23)33-15(3)27/h6,8,10,17-18,21,28,30H,4-5,7,9,11-12H2,1-3H3/t17-,18+,21-,22-,23+,24-/m0/s1
SMILES C1C[C@@]([C@]2([C@H](C1)[C@@]1(C(=C(C2=O)O)C)[C@H](O[C@@H](C1)c1cocc1)OC(=O)C)COC(=O)C)(CCl)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeTeucrium polium Ref.
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OrganismTeucrium polium
ReferenceCarreiras,Phytochem.,28,(1988),1453