input word = C00014516

Metabolite InformationStructural formula
Name 3,4',6'-Trihydroxy-4,2'-dimethoxychalcone 4'-O-rutinoside
Formula C29H36O15
Mw 624.20542048
CAS RN 24292-52-2
C_ID C00014516 ,
InChIKey FDHNLHLOJLLXDH-FGYYIRGSNA-N
InChICode InChI=1S/C29H36O15/c1-12-22(33)24(35)26(37)28(42-12)41-11-20-23(34)25(36)27(38)29(44-20)43-14-9-17(32)21(19(10-14)40-3)15(30)6-4-13-5-7-18(39-2)16(31)8-13/h4-10,12,20,22-29,31-38H,11H2,1-3H3/b6-4+/t12-,20+,22-,23+,24+,25-,26-,27+,28+,29+/m0/s1
SMILES c1(cc(c(c(c1)O)C(=O)/C=C/c1ccc(c(c1)O)OC)OC)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaeMyrtus communis Ref.
PlantaePalmaeCocos nucifera Ref.
PlantaeRutaceaeCitrus reticulata Ref.
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OrganismMyrtus communis
ReferenceMartin,Pharm.Biol.,37,(1999),28