input word = C00038501

Metabolite InformationStructural formula
Name Ardisianoside G
(-)-Ardisianoside G
Formula C52H86O22
Mw 1062.56107443
CAS RN 932018-33-2
C_ID C00038501 ,
InChIKey LZUMOKWHTUFQPN-DZIKYOTCNA-N
InChICode InChI=1S/C52H86O22/c1-22-31(56)35(60)38(63)42(68-22)74-41-37(62)33(58)24(19-54)70-45(41)71-25-20-66-44(40(34(25)59)73-43-39(64)36(61)32(57)23(18-53)69-43)72-30-10-11-48(5)26(46(30,2)3)8-12-49(6)27(48)9-13-52-28-16-47(4,65)14-15-51(28,21-67-52)29(55)17-50(49,52)7/h22-45,53-65H,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-,47-,48+,49+,50-,51+,52-/m0/s1
SMILES C1[C@@H]2[C@]3(CC[C@]1(C)O)[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)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