input word = C00042842

Metabolite InformationStructural formula
Name Pescaproside A
(-)-Pescaproside A
Formula C59H106O24
Mw 1198.70740432
CAS RN 138068-89-0
C_ID C00042842 ,
InChIKey MHVINGJQHVKKSE-PWYRJUFBNA-N
InChICode InChI=1S/C59H106O24/c1-9-11-13-14-15-16-19-23-27-31-39(61)79-54-53(83-56-48(70)44(66)41(63)33(4)74-56)51(81-55-47(69)43(65)40(62)32(3)73-55)36(7)77-59(54)80-50-35(6)76-57(49(71)46(50)68)82-52-45(67)42(64)34(5)75-58(52)78-37(28-24-12-10-2)29-25-21-18-17-20-22-26-30-38(60)72-8/h32-37,40-59,62-71H,9-31H2,1-8H3/t32-,33-,34+,35-,36-,37-,40-,41-,42-,43+,44+,45-,46+,47+,48+,49+,50-,51-,52+,53+,54+,55-,56-,57-,58-,59-/m0/s1
SMILES [C@H]1([C@H]([C@H]([C@@H](O[C@H]1C)O[C@H]1[C@@H](O[C@H]([C@@H]([C@H]1O)O)O[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@H](CCCCCCCCCC(=O)OC)CCCCC)C)O)O)C)OC(=O)CCCCCCCCCCC)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvolvulaceaeIpomoea pes-caprae Ref.
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