input word = C00031288

Metabolite InformationStructural formula
Name Sapimukoside E
(-)-Sapimukoside E
Formula C54H88O20
Mw 1056.58689525
CAS RN 919110-74-0
C_ID C00031288 ,
InChIKey LXIZCUWZTRHPNW-HSMCWIEKNA-N
InChICode InChI=1S/C54H88O20/c1-10-65-46-27(20-26(69-46)19-24(2)3)28-13-17-54(9)30-11-12-34-51(5,6)35(15-16-52(34,7)29(30)14-18-53(28,54)8)71-50-45(44(39(61)33(21-55)70-50)73-48-41(63)38(60)32(57)23-67-48)74-49-42(64)43(36(58)25(4)68-49)72-47-40(62)37(59)31(56)22-66-47/h11,19,25-29,31-50,55-64H,10,12-18,20-23H2,1-9H3/t25-,26-,27-,28-,29-,31-,32-,33+,34-,35-,36-,37-,38-,39+,40+,41+,42+,43+,44-,45+,46-,47-,48-,49-,50-,52+,53-,54+/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]1OC[C@@H]([C@@H]([C@H]1O)O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapindaceaeSapindus mukorossi GAERTN Ref.
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