input word = C00031291

Metabolite InformationStructural formula
Name Sapimukoside H
(-)-Sapimukoside H
Formula C55H90O20
Mw 1070.60254532
CAS RN 919110-77-3
C_ID C00031291 ,
InChIKey DFPAGEXHKVXDKM-APZNQXBENA-N
InChICode InChI=1S/C55H90O20/c1-11-66-47-28(21-27(70-47)20-24(2)3)29-14-18-55(10)31-12-13-34-52(6,7)35(16-17-53(34,8)30(31)15-19-54(29,55)9)72-51-46(45(39(61)33(22-56)71-51)74-49-42(64)40(62)36(58)25(4)68-49)75-50-43(65)44(37(59)26(5)69-50)73-48-41(63)38(60)32(57)23-67-48/h12,20,25-30,32-51,56-65H,11,13-19,21-23H2,1-10H3/t25-,26-,27-,28-,29-,30-,32+,33+,34-,35-,36-,37-,38-,39+,40+,41+,42+,43+,44+,45-,46+,47-,48-,49-,50-,51-,53+,54-,55+/m0/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)([C@@H]1C(=CC2)[C@@]2([C@@](CC1)([C@@H](CC2)[C@H]1[C@H](O[C@H](C1)C=C(C)C)OCC)C)C)C)(C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapindaceaeSapindus mukorossi GAERTN Ref.
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OrganismSapindus mukorossi GAERTN
ReferenceNi,Chem.Pharm.Bull.,54,(2006),1443