input word = C00040428

Metabolite InformationStructural formula
Name Tabularisin A
(+)-Tabularisin A
Formula C41H48O20
Mw 860.27389398
CAS RN 945831-39-0
C_ID C00040428 ,
InChIKey GKWHCQAFBYRUIH-YWXXKATDNA-N
InChICode InChI=1S/C41H48O20/c1-16(2)28(46)58-32-39(50)31(56-20(6)45)33(7)14-38(39,49)34(8,23(33)22(29(47)51-10)53-17(3)42)40-26-25(54-18(4)43)36-15-37(36,41(32,40)61-35(9,59-26)60-40)27(55-19(5)44)30(48)57-24(36)21-11-12-52-13-21/h11-13,16,22-27,31-32,49-50H,14-15H2,1-10H3/t22-,23+,24+,25+,26-,27+,31+,32-,33-,34-,35-,36-,37-,38-,39-,40+,41+/m1/s1
SMILES C1(=O)O[C@H]([C@@]23[C@@]([C@H]1OC(=O)C)([C@]14[C@]5([C@@H]([C@@H]2OC(=O)C)O[C@](O5)(O4)C)[C@]2([C@]4([C@]([C@H]1OC(=O)C(C)C)([C@H]([C@@]([C@@H]2[C@H](C(=O)OC)OC(=O)C)(C4)C)OC(=O)C)O)O)C)C3)c1cocc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeChukrasia tabularis var. velutina Ref.
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