input word = C00042614

Metabolite InformationStructural formula
Name Insuloside
Formula C40H46O16
Mw 782.27858542
CAS RN 219786-99-9
C_ID C00042614 ,
InChIKey SREDLZCCQWSQLN-QBQOLSIMNA-N
InChICode InChI=1S/C40H46O16/c1-2-26-27(19-34(46)51-15-12-24-6-10-30(44)32(18-24)54-25-7-3-22(4-8-25)11-14-41)28(38(50)52-16-13-23-5-9-29(43)31(45)17-23)21-53-39(26)56-40-37(49)36(48)35(47)33(20-42)55-40/h2-10,17-18,21,27,33,35-37,39-45,47-49H,11-16,19-20H2,1H3/b26-2+/t27-,33+,35+,36-,37+,39-,40-/m0/s1
SMILES C1(=CO[C@H](/C(=C/C)/[C@@H]1CC(=O)OCCc1cc(c(cc1)O)Oc1ccc(cc1)CCO)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(=O)OCCc1ccc(c(c1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOleaceaeFraxinus insularis Ref.
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