input word = C00034105

Metabolite InformationStructural formula
Name Periperoxide A
(-)-Periperoxide A
Formula C70H110O27
Mw 1382.72344831
CAS RN 1095261-90-7
C_ID C00034105 ,
InChIKey NKGACJXDDCQRIG-XXYXRXLSNA-N
InChICode InChI=1S/C70H110O27/c1-32-24-48(77-12)57(75)65(82-32)90-42-18-21-67(10)41(25-42)16-17-43-44(67)19-22-68(11)45(43)20-23-70(68,76)39(8)88-54-29-50-62(37(6)86-54)96-97-69(31-81-50)30-51(79-14)61(38(7)95-69)93-53-27-47(73)58(34(3)84-53)91-52-26-46(72)59(35(4)83-52)92-55-28-49(78-13)60(36(5)85-55)94-66-64(89-40(9)71)63(80-15)56(74)33(2)87-66/h16,24,32-39,42-47,49-56,58-66,72-74,76H,17-23,25-31H2,1-15H3/t32-,33-,34-,35-,36-,37-,38-,39+,42+,43-,44+,45+,46-,47+,49+,50-,51-,52+,53+,54+,55+,56+,58-,59-,60-,61-,62-,63+,64-,65-,66+,67+,68+,69+,70+/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](O)[C@H](O[C@H]7C[C@@H](O)[C@H](O[C@H]8C[C@H](OC)[C@H](O[C@@H]9O[C@H](C)[C@H](O)[C@H](OC)[C@H]9OC(C)=O)[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.
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