input word = C00034111

Metabolite InformationStructural formula
Name Periplocoside A
Formula C72H114O27
Mw 1410.75474844
CAS RN 114828-46-5
C_ID C00034111 ,
InChIKey RTMAZVHPRZLMEU-UHFFFAOYNA-N
InChICode InChI=1S/C72H114O27/c1-34-26-48(77-12)59(75)67(84-34)92-44-20-23-69(10)43(27-44)18-19-45-46(69)21-24-70(11)47(45)22-25-72(70,76)41(8)90-54-31-52-64(39(6)88-54)98-99-71(33-83-52)32-53(81-16)63(40(7)97-71)95-57-29-50(79-14)61(37(4)86-57)93-55-28-49(78-13)60(36(3)85-55)94-56-30-51(80-15)62(38(5)87-56)96-68-66(91-42(9)73)65(82-17)58(74)35(2)89-68/h18,26,34-41,44-47,49-58,60-68,74,76H,19-25,27-33H2,1-17H3/t34-,35+,36-,37+,38+,39+,40-,41+,44+,45-,46+,47+,49-,50+,51+,52+,53-,54+,55-,56-,57+,58-,60+,61-,62+,63-,64+,65+,66-,67-,68+,69+,70-,71+,72-/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@@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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