input word = C00040429

Metabolite InformationStructural formula
Name Tabularisin B
(+)-Tabularisin B
Formula C39H46O19
Mw 818.26332929
CAS RN 945831-42-5
C_ID C00040429 ,
InChIKey QTCZMZUMCQYMIT-JVLHMFGGNA-N
InChICode InChI=1S/C39H46O19/c1-15(2)26(44)55-30-37(48)29(53-18(5)42)31(6)13-36(37,47)32(7,21(31)20(27(45)49-9)51-16(3)40)38-24-22(43)34-14-35(34,39(30,38)58-33(8,56-24)57-38)25(52-17(4)41)28(46)54-23(34)19-10-11-50-12-19/h10-12,15,20-25,29-30,43,47-48H,13-14H2,1-9H3/t20-,21+,22+,23+,24-,25+,29+,30-,31-,32-,33-,34+,35-,36-,37-,38+,39+/m1/s1
SMILES [C@]12(O[C@@H]3[C@@H]([C@@]45[C@@H](OC(=O)[C@@H]([C@]4([C@@]4([C@]3([C@]3([C@]6([C@]([C@H]4OC(=O)C(C)C)([C@H]([C@@]([C@@H]3[C@H](C(=O)OC)OC(=O)C)(C6)C)OC(=O)C)O)O)C)O1)O2)C5)OC(=O)C)c1cocc1)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeChukrasia tabularis var. velutina Ref.
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OrganismChukrasia tabularis var. velutina
ReferenceZhang,J.Nat.Prod.,70,(2007),1616