input word = C00043033

Metabolite InformationStructural formula
Name Stoloniferin III
Formula C61H106O24
Mw 1222.70740432
CAS RN 156848-79-2
C_ID C00043033 ,
InChIKey VQJSKLDVGOAPNT-UHFFFAOYNA-N
InChICode InChI=1S/C61H106O24/c1-10-13-15-16-18-22-27-31-40(63)80-55-54(85-57-46(69)43(66)41(64)33(5)73-57)51(82-58-47(70)45(68)49(35(7)75-58)81-56(72)32(4)12-3)37(9)77-61(55)83-50-36(8)76-59-48(71)52(50)79-39(62)30-26-23-20-17-19-21-25-29-38(28-24-14-11-2)78-60-53(84-59)44(67)42(65)34(6)74-60/h32-38,41-55,57-61,64-71H,10-31H2,1-9H3/t32-,33-,34+,35+,36-,37+,38-,41-,42+,43-,44-,45-,46+,47+,48-,49-,50-,51+,52-,53-,54-,55-,57+,58-,59+,60-,61-/m1/s1
SMILES [C@@H]12[C@@H](O[C@@H](CCCCCCCCCC(=O)O[C@@H]3[C@H]([C@H](O1)O[C@@H]([C@H]3O[C@H]1O[C@H]([C@@H]([C@H]([C@H]1OC(=O)CCCCCCCCC)O[C@@H]1O[C@@H]([C@H]([C@H]([C@@H]1O)O)O)C)O[C@H]1O[C@H]([C@H]([C@@H]([C@@H]1O)O)OC(=O)[C@H](C)CC)C)C)C)O)CCCCC)O[C@H]([C@@H]([C@H]2O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvolvulaceaeIpomoea pes-caprae Ref.
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OrganismIpomoea pes-caprae
ReferencePereda-Miranda,J.Nat.Prod.,68,(2005),226