input word = C00040549

Metabolite InformationStructural formula
Name Trichilin H
Formula C86H46O14
Mw 1302.28875618
CAS RN 156250-68-9
C_ID C00040549 ,
InChIKey ZXYBAVNFURYQBW-UHFFFAOYNA-N
InChICode InChI=1S/C36H46O14/c1-15(2)30(43)49-31-32(6)21-12-22(40)34(8)26(35(21,14-45-31)27(42)25(46-16(3)37)29(32)48-18(5)39)24(41)28(47-17(4)38)33(7)20(19-9-10-44-13-19)11-23-36(33,34)50-23/h9-10,13,15,20-23,25-29,31,40,42H,11-12,14H2,1-8H3/t20-,21+,22+,23+,25-,26-,27-,28-,29+,31+,32-,33+,34-,35+,36+/m1/s1
SMILES C1(=O)[C@@H]2[C@]([C@@]34[C@]([C@@H]1OC(=O)C)([C@H](C[C@@H]3O4)c1cocc1)C)([C@H](C[C@@H]1[C@@]32[C@@H]([C@H]([C@@H]([C@@]1([C@@H](OC3)OC(=O)C(C)C)C)OC(=O)C)OC(=O)C)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeMelia azedarach Ref.
PlantaeMeliaceaeMelia toosendan Sieb.et Zuce. Ref.
zoom in