input word = C00034107

Metabolite InformationStructural formula
Name Periperoxide C
(-)-Periperoxide C
Formula C69H110O25
Mw 1338.73361907
CAS RN 1095261-92-9
C_ID C00034107 ,
InChIKey WZZVOUFVRPNERS-XIOUYMOLNA-N
InChICode InChI=1S/C69H110O25/c1-33-24-47(74-11)59(72)65(80-33)87-42-18-21-66(9)41(25-42)16-17-43-44(66)19-22-67(10)45(43)20-23-69(67,73)40(8)86-54-30-51-64(38(6)85-54)93-94-68(32-79-51)31-52(78-15)63(39(7)92-68)91-57-29-50(77-14)61(36(4)84-57)89-53-26-46(70)60(35(3)82-53)88-56-28-49(76-13)62(37(5)83-56)90-55-27-48(75-12)58(71)34(2)81-55/h16,24,33-40,42-46,48-58,60-65,70-71,73H,17-23,25-32H2,1-15H3/t33-,34-,35-,36-,37-,38-,39-,40+,42+,43-,44+,45+,46-,48+,49+,50+,51-,52-,53+,54+,55+,56+,57+,58-,60-,61-,62-,63-,64-,65+,66+,67+,68+,69+/m1/s1
SMILES C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2(C1)C)CC[C@]1([C@H]3CC[C@@]1([C@@H](O[C@@H]1O[C@@H]([C@@H]2[C@@H](C1)OC[C@]1(OO2)O[C@@H]([C@H]([C@@H](C1)OC)O[C@H]1C[C@@H]([C@@H]([C@H](O1)C)O[C@@H]1O[C@@H]([C@H]([C@@H](C1)O)O[C@H]1C[C@@H]([C@@H]([C@H](O1)C)O[C@@H]1O[C@@H]([C@H]([C@H](C1)OC)O)C)OC)C)OC)C)C)C)O)C)O[C@@H]1O[C@@H](C=C(C1=O)OC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaePeriploca forrestii Schltr. Ref.
PlantaeApocynaceaePeriploca sepium Bge. Ref.
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OrganismPeriploca forrestii Schltr.
ReferenceFeng,Phytochem.,69,(2008),2716