input word = C00042613

Metabolite InformationStructural formula
Name Insularoside 3'-O-beta-D-glucoside
Formula C38H46O18
Mw 790.26841467
CAS RN 204522-47-4
C_ID C00042613 ,
InChIKey HSKJIGQLAWRQNO-JLPAEHNYNA-N
InChICode InChI=1S/C38H46O18/c1-2-21-22-14-28(42)49-11-10-19-5-8-24(41)25(13-19)52-20-6-3-18(4-7-20)9-12-50-35(48)23(22)17-51-36(21)56-38-33(47)34(30(44)27(16-40)54-38)55-37-32(46)31(45)29(43)26(15-39)53-37/h2-8,13,17,22,26-27,29-34,36-41,43-47H,9-12,14-16H2,1H3/b21-2+/t22-,26+,27+,29+,30+,31-,32+,33+,34-,36-,37-,38-/m0/s1
SMILES C12=CO[C@H](/C(=C/C)/[C@@H]1CC(=O)OCCc1cc(c(cc1)O)Oc1ccc(CCOC2=O)cc1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOleaceaeFraxinus insularis Ref.
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