input word = C00050176

Metabolite InformationStructural formula
Name Neopolyanoside
(-)-Neopolyanoside
Formula C48H64O27
Mw 1072.36349684
CAS RN 190073-52-0
C_ID C00050176 ,
InChIKey IYGXXXNCDTVESL-RLNHKCIYNA-N
InChICode InChI=1S/C48H64O27/c1-5-22-24(26(42(62)64-3)17-68-44(22)74-47-40(60)36(56)33(53)28(15-49)71-47)13-31(51)66-12-11-20-7-9-21(10-8-20)70-46-39(59)38(58)35(55)30(73-46)19-67-32(52)14-25-23(6-2)45(69-18-27(25)43(63)65-4)75-48-41(61)37(57)34(54)29(16-50)72-48/h5-10,17-18,23-25,28-30,33-41,44-50,53-61H,2,11-16,19H2,1,3-4H3/b22-5+/t23-,24-,25-,28+,29+,30+,33-,34-,35-,36-,37-,38-,39+,40+,41+,44-,45+,46+,47-,48-/m0/s1
SMILES [C@H]1([C@@H]([C@H]([C@@H](O[C@@H]1COC(=O)C[C@H]1[C@H](C=C)[C@H](OC=C1C(=O)OC)O[C@H]1[C@H](O)[C@H]([C@H]([C@H](O1)CO)O)O)Oc1ccc(cc1)CCOC(=O)C[C@H]1/C(=C\C)/[C@@H](OC=C1C(=O)OC)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOleaceaeJasminum polyanthum Ref.
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