input word = C00006120

Metabolite InformationStructural formula
Name Macrocarposide
Formula C21H22O11
Mw 450.11621155
CAS RN 105798-86-5
C_ID C00006120 ,
InChIKey CGRZFWSCUINYCK-PKPSJVCXNA-N
InChICode InChI=1S/C21H22O11/c22-5-13-17(27)19(29)20(30)21(32-13)14-11(25)4-12-15(18(14)28)16(26)9(6-31-12)8-2-1-7(23)3-10(8)24/h1-4,9,13,17,19-25,27-30H,5-6H2/t9-,13-,17-,19+,20-,21+/m1/s1
SMILES O=C1c2c(cc(O)c([C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)c2O)OCC1c1ccc(O)cc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaePterocarpus macrocarpus Ref.
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