input word = C00040433

Metabolite InformationStructural formula
Name Tabularisin G
(+)-Tabularisin G
Formula C39H46O18
Mw 802.26841467
CAS RN 958220-13-8
C_ID C00040433 ,
InChIKey MPTPNYWNXFPDJV-DQBFMKDHNA-N
InChICode InChI=1S/C39H46O18/c1-16(2)27(45)54-37-29(52-19(5)42)31(6)14-36(37,47)32(7,21(31)12-22(43)48-9)38-23(44)25(50-17(3)40)34-15-35(34,39(38)30(37)55-33(8,56-38)57-39)26(51-18(4)41)28(46)53-24(34)20-10-11-49-13-20/h10-11,13,16,21,23-26,29-30,44,47H,12,14-15H2,1-9H3/t21-,23+,24-,25-,26-,29+,30+,31+,32+,33?,34+,35+,36+,37-,38-,39-/m0/s1
SMILES [C@@]12([C@@]3([C@]45[C@]6([C@@H]([C@@]1(OC(=O)C(C)C)[C@@H]([C@@]([C@@H]3CC(=O)OC)(C2)C)OC(=O)C)O[C@@](O6)(O5)C)[C@@]12[C@@]([C@H]([C@H]4O)OC(=O)C)([C@@H](OC(=O)[C@@H]1OC(=O)C)c1cocc1)C2)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeChukrasia tabularis var. velutina Ref.
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