input word = C00034106

Metabolite InformationStructural formula
Name Periperoxide B
(-)-Periperoxide B
Formula C71H112O26
Mw 1380.74418375
CAS RN 1095261-91-8
C_ID C00034106 ,
InChIKey XMRMWAHPQIKBRO-DDUIMYLSNA-N
InChICode InChI=1S/C71H112O26/c1-34-25-49(76-12)60(74)67(82-34)90-44-19-22-68(10)43(26-44)17-18-45-46(68)20-23-69(11)47(45)21-24-71(69,75)41(8)88-56-31-53-66(39(6)87-56)96-97-70(33-81-53)32-54(80-16)65(40(7)95-70)94-59-30-52(79-15)63(37(4)86-59)92-55-27-48(73)61(35(2)83-55)91-57-29-51(78-14)64(38(5)85-57)93-58-28-50(77-13)62(36(3)84-58)89-42(9)72/h17,25,34-41,44-48,50-59,61-67,73,75H,18-24,26-33H2,1-16H3/t34-,35-,36-,37-,38-,39-,40-,41+,44+,45-,46+,47+,48-,50+,51+,52+,53-,54-,55+,56+,57+,58+,59+,61-,62-,63-,64-,65-,66-,67-,68+,69+,70+,71+/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)OC(=O)C)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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