input word = C00034112

Metabolite InformationStructural formula
Name Periplocoside D
Formula C70H112O26
Mw 1368.74418375
CAS RN 116709-64-9
C_ID C00034112 ,
InChIKey FKEFEVSJQJDJAJ-UHFFFAOYNA-N
InChICode InChI=1S/C70H112O26/c1-33-25-46(75-11)57(72)65(82-33)89-42-19-22-67(9)41(26-42)17-18-43-44(67)20-23-68(10)45(43)21-24-70(68,74)40(8)88-52-30-50-63(38(6)86-52)95-96-69(32-81-50)31-51(79-15)62(39(7)94-69)92-55-28-48(77-13)60(36(4)84-55)90-53-27-47(76-12)59(35(3)83-53)91-54-29-49(78-14)61(37(5)85-54)93-66-58(73)64(80-16)56(71)34(2)87-66/h17,25,33-40,42-45,47-56,58-66,71,73-74H,18-24,26-32H2,1-16H3/t33-,34-,35+,36-,37-,38-,39-,40+,42-,43+,44-,45-,47+,48+,49+,50+,51+,52+,53-,54+,55+,56-,58-,59-,60+,61+,62+,63-,64+,65+,66+,67-,68+,69+,70+/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)O)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@H]1O[C@H](C=C(C1=O)OC)C)C)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaePeriploca forrestii Schltr. Ref.
PlantaeApocynaceaePeriploca sepium Bge. Ref.
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