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 COC1=CC(C)OC(OC2CCC3(C)C(=CCC4C3CCC3(C)C4CCC3(O)C(C)OC3CC4OCC5(CC(OC)C(OC6CC(OC)C(OC7CC(OC)C(OC8CC(OC)C(OC9OC(C)C(O)C(OC)C9OC(C)=O)C(C)O8)C(C)O7)C(C)O6)C(C)O5)OOC4C(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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