input word = C00060081

Metabolite InformationStructural formula
Name 7-Tigloyl-12-oxovilasinin
Formula C31H40O7
Mw 524.27740363
CAS RN 1529774-19-3
C_ID C00060081
InChIKey LMRSDFSXTQKFDP-XJGCXJNTSA-N
InChICode InChI=1S/C31H40O7/c1-7-16(2)27(35)38-26-24-25-28(3,15-37-24)21(32)13-23(34)31(25,6)20-12-22(33)29(4)18(17-10-11-36-14-17)8-9-19(29)30(20,26)5/h7,9-11,14,18,20-21,23-26,32,34H,8,12-13,15H2,1-6H3/b16-7+/t18-,20-,21+,23-,24+,25-,26+,28+,29-,30-,31-/m0/s1
SMILES CC=C(C)C(=O)OC1C2OCC3(C)C(O)CC(O)C(C)(C23)C2CC(=O)C3(C)C(=CCC3c3ccoc3)C12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAzadirachta indica Ref.
zoom in