input word = C00004110

Metabolite InformationStructural formula
Name Aequinetin
Formula C21H20O9
Mw 416.11073224
CAS RN 31025-53-3
C_ID C00004110 ,
InChIKey PIJHQWMTZXDYER-OHPGNTIMNA-N
InChICode InChI=1S/C21H20O9/c22-9-16-18(25)19(26)20(27)21(30-16)28-11-6-12(23)17-13(24)8-14(29-15(17)7-11)10-4-2-1-3-5-10/h1-8,16,18-23,25-27H,9H2/t16-,18+,19-,20+,21+/m0/s1
SMILES c1(cc(c2c(c1)oc(cc2=O)c1ccccc1)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCytisus baeticus Ref.
PlantaeFabaceaeSpartium junceum Ref.
PlantaeRosaceaePrunus aequinoctialis Ref.
PlantaeRosaceaePrunus avium Ref.
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