input word = C00039805

Metabolite InformationStructural formula
Name Murucoidin IV
(-)-Murucoidin IV
Formula C56H96O25
Mw 1168.62406862
CAS RN 882691-11-4
C_ID C00039805 ,
InChIKey UGFCYMGNAMSNEL-PRSNGEKRNA-N
InChICode InChI=1S/C56H96O25/c1-10-13-19-22-32-23-20-17-15-14-16-18-21-24-34(58)75-47-42(66)44(30(8)71-55(47)80-46-38(62)35(59)28(6)69-54(46)73-32)78-56-49(77-51(68)27(5)12-3)48(81-53-40(64)37(61)36(60)33(25-57)74-53)45(31(9)72-56)79-52-41(65)39(63)43(29(7)70-52)76-50(67)26(4)11-2/h26-33,35-49,52-57,59-66H,10-25H2,1-9H3/t26-,27-,28+,29-,30-,31-,32-,33+,35-,36-,37-,38-,39-,40+,41+,42+,43-,44-,45-,46+,47+,48+,49+,52-,53-,54-,55-,56-/m0/s1
SMILES [C@H]12[C@@H]([C@@H]([C@H]([C@@H](O1)C)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)OC(=O)[C@H](CC)C)C)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)OC(=O)[C@H](CC)C)O)OC(=O)CCCCCCCCC[C@@H](O[C@H]1[C@H](O2)[C@H]([C@H]([C@H](O1)C)O)O)CCCCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvolvulaceaeIpomoea murucoides Ref.
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OrganismIpomoea murucoides
ReferenceCherigo,J.Nat.Prod.,71,(2008),1037