input word = C00010249

Metabolite InformationStructural formula
Name 5,7,3',4'-Tetrahydroxy-4-phenylcoumarin 5-O-apiosyl-(1->6)-glucoside
Formula C26H28O15
Mw 580.14282023
CAS RN 116329-90-9
C_ID C00010249 ,
InChIKey URQNORFSMLKGLE-NNAUOSBDNA-N
InChICode InChI=1S/C26H28O15/c27-8-26(36)9-38-25(23(26)35)37-7-17-20(32)21(33)22(34)24(41-17)40-16-5-11(28)4-15-19(16)12(6-18(31)39-15)10-1-2-13(29)14(30)3-10/h1-6,17,20-25,27-30,32-36H,7-9H2/t17-,20-,21+,22+,23+,24-,25-,26-/m1/s1
SMILES O=c1cc(-c2ccc(O)c(O)c2)c2c(O[C@@H]3OC(CO[C@@H]4OCC(O)(CO)C4O)[C@@H](O)[C@H](O)C3O)cc(O)cc2o1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeCoutarea hexandra Ref.
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