input word = C00038505

Metabolite InformationStructural formula
Name Ardisianoside K
(-)-Ardisianoside K
Formula C53H86O22
Mw 1074.56107443
CAS RN 932018-37-6
C_ID C00038505 ,
InChIKey WLCKGGTZSALHSX-MLRALNGRNA-N
InChICode InChI=1S/C53H86O22/c1-22-31(58)35(62)38(65)44(68-22)74-41-37(64)33(60)26(18-55)70-47(41)71-27-19-67-46(40(34(27)61)73-45-39(66)36(63)32(59)25(17-54)69-45)72-30-11-12-50(5)28(48(30,2)3)10-13-51(6)29(50)9-8-23-24-16-49(4,20-56)14-15-53(24,21-57)43-42(75-43)52(23,51)7/h8,22,24-47,54-66H,9-21H2,1-7H3/t22-,24-,25+,26+,27-,28-,29+,30-,31-,32+,33+,34-,35+,36-,37-,38+,39+,40+,41+,42-,43+,44-,45-,46-,47-,49-,50-,51+,52-,53+/m0/s1
SMILES C1[C@@H]2[C@](CC[C@]1(C)CO)([C@H]1[C@@H]([C@@]3(C2=CC[C@H]2[C@]3(CC[C@@H]3[C@@]2(CC[C@@H](C3(C)C)O[C@@H]2OC[C@@H]([C@@H]([C@H]2O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@@H]2O[C@H]([C@@H]([C@H]([C@H]2O)O)O)C)C)C)C)O1)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrsinaceaeArdisia japonica Ref.
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OrganismArdisia japonica
ReferenceChang,J.Nat.Prod.,70,(2007),179