input word = C00038503

Metabolite InformationStructural formula
Name Ardisianoside I
(-)-Ardisianoside I
Formula C53H86O23
Mw 1090.55598906
CAS RN 932018-35-4
C_ID C00038503 ,
InChIKey QUPKOBZUSQZXJV-GNLWUZAJNA-N
InChICode InChI=1S/C53H86O23/c1-22-31(58)35(62)38(65)42(69-22)75-41-37(64)33(60)24(19-55)71-45(41)72-25-20-68-44(40(34(25)61)74-43-39(66)36(63)32(59)23(18-54)70-43)73-30-10-11-49(5)26(47(30,2)3)8-12-50(6)27(49)9-13-53-28-16-48(4,21-56)14-15-52(28,46(67)76-53)29(57)17-51(50,53)7/h22-45,54-66H,8-21H2,1-7H3/t22-,23+,24+,25-,26-,27+,28+,29+,30-,31-,32+,33+,34-,35+,36-,37-,38+,39+,40+,41+,42-,43-,44-,45-,48-,49+,50+,51-,52+,53-/m0/s1
SMILES C1[C@@H]2[C@]3(CC[C@]1(C)CO)[C@@H](C[C@@]1([C@@]2(CC[C@H]2[C@]1(CC[C@@H]1[C@]2(CC[C@@H](C1(C)C)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)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)C)C)OC3=O)C)O
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