input word = C00045456

Metabolite InformationStructural formula
Name Yesanchinoside A
(+)-Yesanchinoside A
Formula C44H74O16
Mw 858.49768632
CAS RN 416843-84-0
C_ID C00045456 ,
InChIKey JUWQATWMWQLTDL-UAFQLHRPNA-N
InChICode InChI=1S/C44H74O16/c1-20(46)55-19-25-31(50)33(52)35(59-37-34(53)32(51)30(49)24(18-45)57-37)38(58-25)56-23-17-43(8)26(41(6)13-11-27(48)39(2,3)36(23)41)16-22(47)29-21(10-14-42(29,43)7)44(9)15-12-28(60-44)40(4,5)54/h21-38,45,47-54H,10-19H2,1-9H3/t21-,22+,23-,24+,25+,26+,27-,28-,29-,30+,31+,32-,33-,34+,35+,36-,37-,38+,41+,42+,43+,44-/m0/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](C[C@@H]2O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)O)O)O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)([C@]2([C@H]([C@@H](C1)O)[C@H](CC2)[C@]1(O[C@@H](CC1)C(O)(C)C)C)C)C)C)(C)C)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 pseudo-ginseng var.japonicus
ReferenceZou, et al., JNP, 65, (2002), 346