input word = C00059089

Metabolite InformationStructural formula
Name 6-Acetyl-3,6'-diferuloyl-sucrose
Formula C34H40O18
Mw 736.22146448
CAS RN 107109-91-1
C_ID C00059089
InChIKey UVNINYULIZFPEM-UHFFFAOYSA-N
InChICode InChI=1S/C34H40O18/c1-17(36)47-15-25-29(42)32(50-27(40)11-7-19-5-9-21(38)23(13-19)46-3)34(16-35,51-25)52-33-31(44)30(43)28(41)24(49-33)14-48-26(39)10-6-18-4-8-20(37)22(12-18)45-2/h4-13,24-25,28-33,35,37-38,41-44H,14-16H2,1-3H3
SMILES COc1cc(C=CC(=O)OCC2OC(OC3(CO)OC(COC(C)=O)C(O)C3OC(=O)C=Cc3ccc(O)c(OC)c3)C(O)C(O)C2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLiliaceaeLilium auratum Ref.
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OrganismLilium auratum
Referencehttps://doi.org/10.1016/0031-9422(89)80363-2