input word = C00050193

Metabolite InformationStructural formula
Name Picfeltarraenin IV
Formula C47H72O18
Mw 924.4718655
CAS RN 184288-35-5
C_ID C00050193 ,
InChIKey AJDSYFQMQGZVPS-ALFFFHMONA-N
InChICode InChI=1S/C47H72O18/c1-19(2)25-14-28(51)47(9,65-25)39-23(49)15-44(6)27-12-10-21-22(46(27,8)29(52)16-45(39,44)7)11-13-30(43(21,4)5)62-40-36(58)37(24(50)18-59-40)63-42-38(34(56)32(54)26(17-48)61-42)64-41-35(57)33(55)31(53)20(3)60-41/h10,14,19-20,22-24,26-27,30-42,48-50,53-58H,11-13,15-18H2,1-9H3/t20-,22+,23+,24+,26+,27-,30+,31-,32+,33+,34-,35+,36+,37-,38+,39-,40-,41-,42-,44-,45+,46-,47-/m0/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1CO)O[C@H]1[C@@H](CO[C@H]([C@@H]1O)O[C@@H]1CC[C@@H]2C(=CC[C@H]3[C@]4([C@](CC(=O)[C@@]23C)([C@H]([C@@H](C4)O)[C@]2(OC(=CC2=O)C(C)C)C)C)C)C1(C)C)O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaePicria fel-terrae Ref.
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OrganismPicria fel-terrae
ReferenceHuang,J.Nat.Prod.,61,(1998),757