input word = C00040430

Metabolite InformationStructural formula
Name Tabularisin C
(+)-Tabularisin C
Formula C41H48O20
Mw 860.27389398
CAS RN 945831-43-6
C_ID C00040430 ,
InChIKey WBJPQNKIGXGLGC-CMNZYRSPNA-N
InChICode InChI=1S/C41H48O20/c1-16(2)28(47)58-39-31(56-20(6)45)33(7)14-38(39,50)34(8,23(33)22(29(48)51-10)53-17(3)42)40-24(46)26(54-18(4)43)36-15-37(36,41(40)32(39)59-35(9,60-40)61-41)27(55-19(5)44)30(49)57-25(36)21-11-12-52-13-21/h11-13,16,22-27,31-32,46,50H,14-15H2,1-10H3/t22-,23+,24-,25+,26+,27+,31-,32-,33-,34-,35-,36-,37-,38-,39+,40+,41+/m1/s1
SMILES [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)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