input word = C00044858

Metabolite InformationStructural formula
Name Leandreanin B
(+)-Leandreanin B
Formula C38H46O17
Mw 774.27350005
CAS RN 561307-82-2
C_ID C00044858 ,
InChIKey WDSUDLNQRNVFBV-NWGOSATANA-N
InChICode InChI=1S/C38H46O17/c1-18(39)49-25-15-31(5,28(45)22-11-12-48-16-22)24(14-27(44)47-10)36-30(51-20(3)41)37(52-21(4)42)29(50-19(2)40)32(6)17-35(37)33(7,23(32)13-26(43)46-9)38(25,36)55-34(8,53-35)54-36/h11-12,16,23-25,29-30H,13-15,17H2,1-10H3/t23-,24+,25+,29-,30-,31+,32?,33+,34+,35-,36+,37-,38-/m0/s1
SMILES COC(=O)C[C@@H]1C2(C)C34C[C@@]1(C)[C@H](OC(C)=O)[C@]3(OC(C)=O)[C@@H](OC(C)=O)[C@@]13OC(C)(O4)O[C@@]21[C@H](OC(C)=O)C[C@@](C)(C(=O)c1ccoc1)[C@H]3CC(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeNeobeguea leandreana Ref.
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