input word = C00040431

Metabolite InformationStructural formula
Name Tabularisin E
(+)-Tabularisin E
Formula C39H46O18
Mw 802.26841467
CAS RN 958220-11-6
C_ID C00040431 ,
InChIKey XGLDEXQCMGIXSR-KYTZEVIQNA-N
InChICode InChI=1S/C39H46O18/c1-16(2)27(44)54-30-37(47)29(52-19(5)42)31(6)14-36(37,46)32(7,21(31)12-22(43)48-9)38-25-24(50-17(3)40)34-15-35(34,39(30,38)57-33(8,55-25)56-38)26(51-18(4)41)28(45)53-23(34)20-10-11-49-13-20/h10-11,13,16,21,23-26,29-30,46-47H,12,14-15H2,1-9H3/t21-,23-,24-,25+,26-,29-,30+,31+,32+,33+,34+,35+,36+,37+,38-,39-/m0/s1
SMILES COC(=O)C[C@H]1[C@@]2(C)C[C@]3(O)[C@@](O)([C@@H](OC(=O)C(C)C)[C@]45O[C@]6(C)OC([C@H](OC(C)=O)[C@]78C[C@@]74[C@@H](OC(C)=O)C(=O)O[C@H]8c4ccoc4)[C@]5(O6)[C@]13C)[C@H]2OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeChukrasia tabularis var. velutina Ref.
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