input word = C00028333

Metabolite InformationStructural formula
Name Hapepunine 3-O-beta-cellobioside
Formula C40H67NO12
Mw 753.46632661
CAS RN 169786-66-7
C_ID C00028333 ,
InChIKey XZNFNADVJAAKPK-AHJGNYPJNA-N
InChICode InChI=1S/C40H67NO12/c1-19-6-9-26(41(5)16-19)20(2)30-27(44)15-25-23-8-7-21-14-22(10-12-39(21,3)24(23)11-13-40(25,30)4)50-37-35(49)33(47)36(29(18-43)52-37)53-38-34(48)32(46)31(45)28(17-42)51-38/h7,19-20,22-38,42-49H,6,8-18H2,1-5H3/t19-,20+,22-,23+,24-,25-,26+,27-,28+,29+,30-,31+,32-,33+,34+,35+,36+,37+,38-,39-,40-/m0/s1
SMILES C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2(C1)C)CC[C@]1([C@H]3C[C@@H]([C@@H]1[C@@H]([C@H]1CC[C@@H](CN1C)C)C)O)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Cholesterol
Organism
Kingdom Family Species Reference
PlantaeLiliaceaeFritillaria maxinowiczii Freyn. Ref.
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