input word = C00038507

Metabolite InformationStructural formula
Name Ardisicrenoside G
Formula C53H86O23
Mw 1090.55598906
CAS RN 222169-04-2
C_ID C00038507 ,
InChIKey LQOKWJKICXGHMS-ZFKNNHIWNA-N
InChICode InChI=1S/C53H86O23/c1-22-32(58)36(62)39(65)43(70-22)76-42-38(64)34(60)26(19-55)72-46(42)73-27-20-69-45(41(35(27)61)75-44-40(66)37(63)33(59)25(18-54)71-44)74-31-11-12-50(5)28(48(31,2)3)10-13-51(6)29(50)9-8-23-24-16-49(4,47(67)68)14-15-53(24,21-56)30(57)17-52(23,51)7/h8,22,24-46,54-66H,9-21H2,1-7H3,(H,67,68)/t22-,24-,25+,26+,27-,28-,29+,30+,31-,32-,33+,34+,35-,36+,37-,38-,39+,40+,41+,42+,43-,44-,45-,46-,49-,50-,51+,52+,53+/m0/s1
SMILES C1[C@]2([C@H](C([C@H](C1)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)CC[C@@]1([C@@H]2CC=C2[C@]1(C[C@H]([C@@]1([C@H]2C[C@@](CC1)(C)C(=O)O)CO)O)C)C)C
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