input word = C00044269

Metabolite InformationStructural formula
Name Nudicaucin A
(+)-Nudicaucin A
Formula C46H72O17
Mw 896.47695088
CAS RN 211815-97-3
C_ID C00044269 ,
InChIKey WXWFCULTYPZHJI-SENRLHCRNA-N
InChICode InChI=1S/C46H72O17/c1-21-9-14-46(41(57)63-40-35(55)33(53)31(51)26(19-48)60-40)16-15-44(5)22(23(46)17-21)7-8-28-43(4)12-11-29(42(2,3)27(43)10-13-45(28,44)6)61-38-36(56)37(24(49)20-58-38)62-39-34(54)32(52)30(50)25(18-47)59-39/h7,23-40,47-56H,1,8-20H2,2-6H3/t23-,24-,25+,26+,27-,28+,29-,30+,31-,32-,33-,34+,35+,36+,37-,38-,39-,40-,43-,44+,45+,46-/m0/s1
SMILES C=C1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(O[C@@H]6OC[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeHedyotis nudicaulis Ref.
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OrganismHedyotis nudicaulis
ReferenceKonishi,Phytochem.,48,(1998),525