input word = C00046846

Metabolite InformationStructural formula
Name Peritassine A
(+)-Peritassine A
Formula C38H47NO18
Mw 805.27931371
CAS RN 150881-01-9
C_ID C00046846 ,
InChIKey XVCIECFQBMGYAF-UHFFFAOYNA-N
InChICode InChI=1S/C38H47NO18/c1-16-17(2)33(46)56-30-28(52-20(5)42)32(55-23(8)45)37(15-49-18(3)40)31(54-22(7)44)27(51-19(4)41)26-29(53-21(6)43)38(37,36(30,10)48)57-35(26,9)14-50-34(47)25-13-39-12-11-24(16)25/h11-13,16-17,26-32,48H,14-15H2,1-10H3/t16-,17+,26-,27-,28-,29+,30-,31-,32+,35+,36+,37-,38+/m1/s1
SMILES [C@H]1([C@@H]2[C@@]([C@]34[C@@]([C@H]1OC(=O)C)([C@@H]([C@@H]([C@H]([C@@H]3OC(=O)C)[C@](O4)(C)COC(=O)c1c([C@@H]([C@@H](C(=O)O2)C)C)ccnc1)OC(=O)C)OC(=O)C)COC(=O)C)(O)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii Ref.
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