input word = C00032114

Metabolite InformationStructural formula
Name Pastuchoside E
(+)-Pastuchoside E
Formula C53H86O21
Mw 1058.56615981
CAS RN 848909-33-1
C_ID C00032114 ,
InChIKey PJJJZSMJLUFJIM-JZDHOLHWNA-N
InChICode InChI=1S/C53H86O21/c1-23-32(56)36(60)39(63)43(68-23)73-42-35(59)28(71-44-40(64)37(61)33(57)26(20-54)69-44)22-67-46(42)72-31-12-13-50(6)29(49(31,4)5)11-14-52(8)30(50)10-9-24-25-19-48(2,3)15-17-53(25,18-16-51(24,52)7)47(66)74-45-41(65)38(62)34(58)27(21-55)70-45/h9,23,25-46,54-65H,10-22H2,1-8H3/t23-,25-,26+,27+,28-,29-,30+,31-,32-,33+,34+,35-,36+,37-,38-,39+,40+,41+,42+,43-,44-,45-,46-,50-,51+,52+,53-/m0/s1
SMILES C1(CC[C@]2([C@@H](C1)C1=CC[C@H]3[C@]([C@@]1(CC2)C)(CC[C@@H]1[C@@]3(CC[C@@H](C1(C)C)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeHedera pastuchowii Ref.
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