input word = C00045459

Metabolite InformationStructural formula
Name Yesanchinoside D
(+)-Yesanchinoside D
Formula C44H74O15
Mw 842.5027717
CAS RN 163403-91-6
C_ID C00045459 ,
InChIKey YDCUKUFFVMOSKZ-DNIMYTGONA-N
InChICode InChI=1S/C44H74O15/c1-21(2)11-10-14-44(9,59-39-36(54)33(51)31(49)26(19-45)57-39)23-12-16-42(7)30(23)24(47)17-28-41(6)15-13-29(48)40(4,5)37(41)25(18-43(28,42)8)56-38-35(53)34(52)32(50)27(58-38)20-55-22(3)46/h11,23-39,45,47-54H,10,12-20H2,1-9H3/t23-,24+,25-,26+,27+,28+,29-,30-,31+,32+,33-,34-,35+,36+,37-,38+,39-,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@]2([C@H]([C@@H](C1)O)[C@H](CC2)[C@@](O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)(CCC=C(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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