input word = C00036444

Metabolite InformationStructural formula
Name 1'''-O-beta-Glucosylfraxiformoside
Formula C38H48O18
Mw 792.28406473
CAS RN 148245-78-7
C_ID C00036444 ,
InChIKey LGUOJCQJFWFWJH-ZTHPEUCGNA-N
InChICode InChI=1S/C38H48O18/c1-2-23-24(15-28(42)53-22-9-5-20(6-10-22)12-14-51-37-33(47)31(45)29(43)26(16-39)54-37)25(35(49)50-13-11-19-3-7-21(41)8-4-19)18-52-36(23)56-38-34(48)32(46)30(44)27(17-40)55-38/h2-10,18,24,26-27,29-34,36-41,43-48H,11-17H2,1H3/b23-2+/t24-,26-,27-,29-,30-,31+,32-,33-,34+,36-,37-,38-/m1/s1
SMILES [C@H]1(/C(=C\C)/[C@H](OC=C1C(=O)OCCc1ccc(cc1)O)O[C@H]1O[C@@H]([C@H]([C@H]([C@@H]1O)O)O)CO)CC(=O)Oc1ccc(cc1)CCO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOleaceaeSyringa afghanica Ref.
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