input word = C00010112

Metabolite InformationStructural formula
Name Biochanin A 7-O-glucoside
Astroside
Sissotrin
Formula C22H22O10
Mw 446.12129692
CAS RN 5928-26-7
C_ID C00010112 ,
InChIKey LFEUICHQZGNOHD-RSBVYOOMNA-N
InChICode InChI=1S/C22H22O10/c1-29-11-4-2-10(3-5-11)13-9-30-15-7-12(6-14(24)17(15)18(13)25)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3/t16-,19-,20+,21-,22-/m1/s1
SMILES O(c1cc2c(c(=O)c(co2)c2ccc(cc2)OC)c(c1)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
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeFabaceaeCicer arietinum Ref.
PlantaeFabaceaeMedicago truncatula Ref.
PlantaeFabaceaeSophora japonica L. Ref.
PlantaeFabaceaeTrifolium pratense Ref.
PlantaePoaceaeCymbopogon citratus Ref.
PlantaeSolanaceaeCapsicum annuum Ref.
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OrganismCymbopogon citratus
Referencehttps://doi.org/10.1016/j.foodres.2014.04.036