input word = C00034108

Metabolite InformationStructural formula
Name Periperoxide D
(-)-Periperoxide D
Formula C62H102O22
Mw 1198.68627494
CAS RN 1094319-89-7
C_ID C00034108 ,
InChIKey QQCQUZGXPCJXCH-BZYQGVKWNA-N
InChICode InChI=1S/C62H102O22/c1-30-53(65)43(67-10)24-50(72-30)80-56-33(4)74-51(25-44(56)68-11)78-54-31(2)73-48(23-42(54)64)79-55-32(3)75-52(26-45(55)69-12)81-57-35(6)82-61(28-47(57)70-13)29-71-46-27-49(76-34(5)58(46)83-84-61)77-36(7)62(66)21-18-41-39-15-14-37-22-38(63)16-19-59(37,8)40(39)17-20-60(41,62)9/h14,30-36,38-58,63-66H,15-29H2,1-13H3/t30-,31-,32-,33-,34-,35-,36+,38+,39-,40+,41+,42-,43+,44+,45+,46-,47-,48+,49+,50+,51+,52+,53-,54-,55-,56-,57-,58-,59+,60+,61+,62+/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
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaePeriploca forrestii Schltr. Ref.
PlantaeApocynaceaePeriploca sepium Bge. Ref.
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