input word = C00034113

Metabolite InformationStructural formula
Name Periplocoside E
Formula C65H106O24
Mw 1270.70740432
CAS RN 116709-65-0
C_ID C00034113 ,
InChIKey JRBMXUSQGKDVNO-UHFFFAOYNA-N
InChICode InChI=1S/C65H106O24/c1-31-53(68)59(74-15)60(82-38(8)66)61(80-31)86-56-34(4)78-51(27-46(56)72-13)84-54-32(2)76-50(25-44(54)70-11)83-55-33(3)77-52(26-45(55)71-12)85-57-36(6)87-64(29-48(57)73-14)30-75-47-28-49(79-35(5)58(47)88-89-64)81-37(7)65(69)23-20-43-41-17-16-39-24-40(67)18-21-62(39,9)42(41)19-22-63(43,65)10/h16,31-37,40-61,67-69H,17-30H2,1-15H3/t31-,32-,33+,34-,35-,36+,37-,40+,41-,42-,43-,44-,45-,46-,47-,48+,49+,50+,51+,52+,53-,54+,55-,56+,57+,58+,59+,60-,61+,62-,63-,64-,65+/m0/s1
SMILES O1[C@H]2[C@@H](OC[C@@]3(O1)C[C@H]([C@@H]([C@H](O3)C)O[C@@H]1C[C@@H]([C@H]([C@H](O1)C)O[C@@H]1C[C@@H]([C@@H]([C@@H](O1)C)O[C@@H]1C[C@@H]([C@@H]([C@@H](O1)C)O[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C)O)OC)OC(=O)C)OC)OC)OC)OC)C[C@H](O[C@H]2C)O[C@H]([C@]1([C@@]2([C@@H](CC1)[C@@H]1[C@H](CC2)[C@@]2(C(=CC1)C[C@@H](CC2)O)C)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaePeriploca forrestii Schltr. Ref.
PlantaeApocynaceaePeriploca sepium Bge. Ref.
zoom in