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 COC1=C[C@@H](C)OC(O[C@H]2CC[C@@]3(C)C(=CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4CC[C@]3(O)[C@H](C)O[C@H]3C[C@H]4OC[C@]5(C[C@@H](OC)[C@H](O[C@H]6C[C@H](OC)[C@H](O[C@H]7C[C@@H](O)[C@H](O[C@H]8C[C@H](OC)[C@H](O[C@H]9C[C@H](OC)[C@H](O)[C@@H](C)O9)[C@@H](C)O8)[C@@H](C)O7)[C@@H](C)O6)[C@@H](C)O5)OO[C@@H]4[C@@H](C)O3)C2)C1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaePeriploca forrestii Schltr. Ref.
PlantaeApocynaceaePeriploca sepium Bge. Ref.
zoom in