input word = C00010783

Metabolite InformationStructural formula
Name Oleonuezhenide
Formula C48H64O27
Mw 1072.36349684
CAS RN 112693-21-7
C_ID C00010783 ,
InChIKey MFZDFMOKBMJUGB-SFWKINNTNA-N
InChICode InChI=1S/C48H64O27/c1-5-22-24(26(42(62)64-3)17-68-44(22)74-46-39(60)36(57)33(54)28(15-49)70-46)13-31(52)67-19-30-35(56)38(59)41(48(72-30)66-12-11-20-7-9-21(51)10-8-20)73-32(53)14-25-23(6-2)45(69-18-27(25)43(63)65-4)75-47-40(61)37(58)34(55)29(16-50)71-47/h5-10,17-18,24-25,28-30,33-41,44-51,54-61H,11-16,19H2,1-4H3/b22-5+,23-6+/t24-,25-,28+,29-,30+,33+,34+,35+,36-,37-,38-,39-,40-,41-,44-,45-,46+,47-,48+/m0/s1
SMILES [C@H]1(O[C@H]([C@H]([C@@H]([C@@H]1O)O)O)CO)O[C@H]1/C(=C/C)/[C@@H](C(=CO1)C(=O)OC)CC(=O)O[C@@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)COC(=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)OCCc1ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOleaceaeLigustrum japonicum Ref.
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OrganismLigustrum japonicum
ReferenceFukuyama,Planta Med.,53,(1987),427