input word = C00031607

Metabolite InformationStructural formula
Name Ardisiamamilloside H
(-)-Ardisiamamilloside H
Ardisimamilloside H
(-)-Ardisimamilloside H
Formula C47H74O17
Mw 910.49260094
CAS RN 639459-68-0
C_ID C00031607 ,
InChIKey LDHINNKHMNWJCX-KLVZTMPTNA-N
InChICode InChI=1S/C47H74O17/c1-22-30(51)33(54)36(57)39(60-22)64-37-34(55)31(52)23(18-48)61-40(37)62-24-19-58-38(35(56)32(24)53)63-29-10-11-43(5)25(41(29,2)3)8-12-44(6)26(43)9-13-47-27-16-42(4,20-49)14-15-46(27,21-59-47)28(50)17-45(44,47)7/h20,22-27,29-40,48,51-57H,8-19,21H2,1-7H3/t22-,23+,24-,25-,26+,27+,29-,30-,31+,32-,33+,34-,35+,36+,37+,38-,39-,40-,42-,43+,44+,45-,46+,47-/m0/s1
SMILES C1[C@@H](C([C@H]2[C@@](C1)([C@@H]1[C@@](CC2)([C@]2([C@]3(CC1)[C@H]1[C@@](C(=O)C2)(CC[C@@](C1)(C=O)C)CO3)C)C)C)(C)C)O[C@@H]1OC[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[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrsinaceaeArdisia japonica Ref.
PlantaeMyrsinaceaeArdisia mamillata HANCE Ref.
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