input word = C00037762

Metabolite InformationStructural formula
Name Safghanoside E
(-)-Safghanoside E
Formula C38H48O19
Mw 808.27897935
CAS RN 482648-20-4
C_ID C00037762 ,
InChIKey ANOWPAROOPYHTP-KSUHOWSJNA-N
InChICode InChI=1S/C38H48O19/c1-2-21-22(14-28(43)54-20-6-3-18(4-7-20)9-12-52-37-33(48)31(46)29(44)26(15-39)55-37)23(35(50)51-11-10-19-5-8-24(41)25(42)13-19)17-53-36(21)57-38-34(49)32(47)30(45)27(16-40)56-38/h2-8,13,17,22,26-27,29-34,36-42,44-49H,9-12,14-16H2,1H3/b21-2+/t22-,26+,27+,29+,30+,31-,32-,33+,34+,36-,37+,38-/m0/s1
SMILES C1(=CO[C@H](/C(=C/C)/[C@@H]1CC(=O)Oc1ccc(cc1)CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(=O)OCCc1cc(c(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOleaceaeSyringa afghanica Ref.
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