input word = C00030518

Metabolite InformationStructural formula
Name Isobiflorin
Formula C16H18O9
Mw 354.09508217
CAS RN 152041-16-2
C_ID C00030518 ,
InChIKey UDTUCCXZNVRBEJ-SMQPIOPQNA-N
InChICode InChI=1S/C16H18O9/c1-5-2-6(18)10-7(19)3-8(20)11(15(10)24-5)16-14(23)13(22)12(21)9(4-17)25-16/h2-3,9,12-14,16-17,19-23H,4H2,1H3/t9-,12-,13+,14-,16+/m1/s1
SMILES c1(cc(c2c(c1[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)oc(cc2=O)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDryopteridaceaeDryopteris crassirhizoma Ref.
PlantaeMyrtaceaeSyzygium aromaticum Ref.
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