input word = C00010113

Metabolite InformationStructural formula
Name Biochanin A 7-O-rutinoside
Formula C28H32O14
Mw 592.17920573
CAS RN 53840-60-1
C_ID C00010113 ,
InChIKey WWSNSDWQADMAJB-HSMLLEENNA-N
InChICode InChI=1S/C28H32O14/c1-11-20(30)23(33)25(35)27(40-11)39-10-18-22(32)24(34)26(36)28(42-18)41-14-7-16(29)19-17(8-14)38-9-15(21(19)31)12-3-5-13(37-2)6-4-12/h3-9,11,18,20,22-30,32-36H,10H2,1-2H3/t11-,18-,20-,22-,23-,24-,25-,26+,27+,28+/m0/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[C@@H]1O[C@H]([C@@H]([C@@H]([C@@H]1O)O)O)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeDalbergia paniculata Ref.
PlantaeFabaceaeDerris scandens Ref.
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