input word = C00040434

Metabolite InformationStructural formula
Name Tabularisin H
Formula C43H52O20
Mw 888.3051941
CAS RN 958220-14-9
C_ID C00040434 ,
InChIKey YNFLMRKGBOHBGU-UHFFFAOYNA-N
InChICode InChI=1S/C43H52O20/c1-17(2)29(48)59-28-32(51)58-26(22-12-13-54-14-22)38-16-39(28,38)43-34-41(60-30(49)18(3)4)33(57-21(7)46)35(8)15-40(41,52)36(9,24(35)23(31(50)53-11)55-19(5)44)42(43,62-37(10,61-34)63-43)25(47)27(38)56-20(6)45/h12-14,17-18,23-28,33-34,47,52H,15-16H2,1-11H3/t23-,24-,25+,26+,27+,28-,33+,34-,35+,36+,37+,38+,39+,40-,41-,42+,43+/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]3[C@@H](C(=O)OC)OC(=O)C)(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(C)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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OrganismChukrasia tabularis var. velutina
ReferenceZhang,J.Nat.Prod.,70,(2007),1616