input word = C00046536

Metabolite InformationStructural formula
Name Yesanchinoside J
(+)-Yesanchinoside J
Formula C61H102O28
Mw 1282.65576268
CAS RN 468733-02-0
C_ID C00046536 ,
InChIKey JDDJBUWBGUZKCK-WCZUCUCENA-N
InChICode InChI=1S/C61H102O28/c1-25(2)11-10-15-61(9,89-55-50(78)45(73)41(69)33(85-55)24-82-53-48(76)44(72)40(68)32(84-53)23-81-52-47(75)38(66)29(65)21-80-52)27-12-17-60(8)37(27)28(64)19-35-58(6)16-14-36(57(4,5)34(58)13-18-59(35,60)7)87-56-51(46(74)42(70)31(86-56)22-79-26(3)63)88-54-49(77)43(71)39(67)30(20-62)83-54/h11,27-56,62,64-78H,10,12-24H2,1-9H3/t27-,28+,29+,30+,31+,32+,33+,34-,35+,36-,37-,38+,39+,40+,41+,42+,43-,44-,45-,46-,47+,48+,49+,50+,51+,52?,53+,54-,55-,56-,58-,59+,60+,61-/m0/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1COC(=O)C)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2C[C@H]([C@H]2[C@]1(CC[C@@H]2[C@@](O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@H]1[C@H](O)[C@H]([C@@H]([C@H](O1)CO[C@@H]1[C@H](O)[C@@H]([C@@H](CO1)O)O)O)O)(CCC=C(C)C)C)C)O)C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax japonicus Ref.
PlantaeAraliaceaePanax pseudo-ginseng var.japonicus Ref.
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OrganismPanax japonicus
ReferenceZou,J.Nat.Prod.,65,(2002),1288