input word = C00046009

Metabolite InformationStructural formula
Name Hirtin
Formula C32H36O11
Mw 596.22576199
CAS RN 13291-80-0
C_ID C00046009 ,
InChIKey MSPSOUKLPSVQMY-WOXATJEGNA-N
InChICode InChI=1S/C32H36O11/c1-8-20(35)42-26-22(41-15(2)33)24-28(3)11-9-18(34)29(4,27(38)39-7)23(28)21(36)25(37)31(24,6)32-19(43-32)13-17(30(26,32)5)16-10-12-40-14-16/h9-12,14,17,19,22,24,26,36H,8,13H2,1-7H3/t17-,19+,22+,24+,26-,28?,29-,30+,31-,32+/m0/s1
SMILES CCC(=O)O[C@H]1[C@H](OC(C)=O)[C@@H]2[C@@]3(C)C=CC(=O)[C@](C)(C(=O)OC)C3=C(O)C(=O)[C@@]2(C)[C@@]23O[C@@H]2C[C@@H](c2ccoc2)[C@]13C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeTrichilia hirta Ref.
PlantaeMeliaceaeTrichilia pallida Ref.
zoom in