input word = C00053554

Metabolite InformationStructural formula
Name Nimbilin
Formula C42H50O10
Mw 714.34039782
CAS RN 126617-60-5
C_ID C00053554
InChIKey NTNUMTAFBRLDAX-RJYQGEKKSA-N
InChICode InChI=1S/C42H50O10/c1-8-23(2)39(46)51-32-20-31(49-25(4)43)40(5)22-48-36-37(40)41(32,6)30-19-34(45)50-29-18-28(27-16-17-47-21-27)24(3)35(29)42(30,7)38(36)52-33(44)15-14-26-12-10-9-11-13-26/h8-17,21,28-32,34,36-38,45H,18-20,22H2,1-7H3/b15-14+,23-8+
SMILES C/C=C(C)C(=O)OC1CC(OC(C)=O)C2(C)COC3C(OC(=O)/C=C/c4ccccc4)C4(C)C5=C(C)C(c6ccoc6)CC5OC(O)CC4C1(C)C32
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAzadirachta indica Ref.
zoom in