input word = C00001674

Metabolite InformationStructural formula
Name Adifoline
Formula C22H20N2O7
Mw 424.12705101
CAS RN 20072-28-0
C_ID C00001674 ,
InChIKey DJWXVEDJWPDUBQ-ISICYGPBNA-N
InChICode InChI=1S/C22H20N2O7/c1-9-18-12(14(21(28)30-2)8-31-22(18)29)6-15-19-13(7-16(23-15)20(26)27)11-5-10(25)3-4-17(11)24(9)19/h3-5,7-9,12,18,22,25,29H,6H2,1-2H3,(H,26,27)/t9-,12-,18-,22+/m1/s1
SMILES COC(=O)C1=CO[C@H](O)[C@H]2[C@@H]1Cc1nc(C(=O)O)cc3c4cc(O)ccc4n(c13)[C@@H]2C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeAdina cordifolia Ref.
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