input word = C00045039

Metabolite InformationStructural formula
Name Reissantin B
Formula C40H43NO13
Mw 745.27344047
CAS RN 628290-36-8
C_ID C00045039 ,
InChIKey BCEBTLZBEYCGQV-UHFFFAOYNA-N
InChICode InChI=1S/C40H43NO13/c1-22(42)49-30-29-32(52-36(47)26-18-19-28(44)41(7)21-26)40(54-37(29,3)4)38(5,48)20-27(51-34(45)24-14-10-8-11-15-24)31(50-23(2)43)39(40,6)33(30)53-35(46)25-16-12-9-13-17-25/h8-19,21,27,29-33,48H,20H2,1-7H3/t27-,29+,30+,31-,32-,33-,38+,39+,40-/m1/s1
SMILES CC(=O)OC1C2C(OC(=O)c3ccc(=O)n(C)c3)C3(OC2(C)C)C(C)(O)CC(OC(=O)c2ccccc2)C(OC(C)=O)C3(C)C1OC(=O)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeReissantia buchananii Ref.
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OrganismReissantia buchananii
ReferenceChang,J.Nat.Prod.,66,(2003),1416