input word = C00023474

Metabolite InformationStructural formula
Name Tafricanin A
Formula C22H25ClO8
Mw 452.12379549
CAS RN 82225-40-9
C_ID C00023474 ,
InChIKey JPVQRCXHVVLUCP-IGAATNRHNA-N
InChICode InChI=1S/C22H25ClO8/c1-12-7-18(26)21(11-30-13(2)24)16(3-4-17(25)22(21,28)10-23)20(12)8-15(31-19(20)27)14-5-6-29-9-14/h5-6,9,12,15-16,28H,3-4,7-8,10-11H2,1-2H3/t12-,15+,16-,20-,21+,22-/m1/s1
SMILES CC(=O)OC[C@@]12C(=O)C[C@@H](C)[C@]3(C[C@@H](c4ccoc4)OC3=O)[C@H]1CCC(=O)[C@]2(O)CCl
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeTeucrium africanum Ref.
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