input word = C00005706

Metabolite InformationStructural formula
Name Corniculatusin 3-robinobioside
Formula C28H32O17
Mw 640.1639496
CAS RN 103839-18-5
C_ID C00005706 ,
InChIKey MESCRWMETWYMMC-VIMYQGIHNA-N
InChICode InChI=1S/C28H32O17/c1-8-16(33)19(36)21(38)27(42-8)41-7-14-17(34)20(37)22(39)28(43-14)45-26-18(35)15-12(31)6-13(32)24(40-2)25(15)44-23(26)9-3-4-10(29)11(30)5-9/h3-6,8,14,16-17,19-22,27-34,36-39H,7H2,1-2H3/t8-,14-,16+,17-,19+,20-,21-,22-,27-,28+/m1/s1
SMILES c1(cc(c2c(c1OC)oc(c(c2=O)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)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeProsopidastrum globosum Ref.
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