input word = C00063827

Metabolite InformationStructural formula
Name Azadirol
Formula C32H48O7
Mw 544.34000389
CAS RN 136396-60-6
C_ID C00063827
InChIKey REBXJVOENPJSGD-ZMUNEWAJSA-N
InChICode InChI=1S/C32H48O7/c1-18(34)39-26-16-24-28(2,3)25(36)12-14-31(24,7)23-11-13-30(6)20(9-10-22(30)32(23,26)8)19(17-33)15-21(35)27(37)29(4,5)38/h10,12,14,19-21,23-24,26,33,35,38H,9,11,13,15-17H2,1-8H3/t19-,20+,21-,23-,24+,26-,30+,31-,32+/m1/s1
SMILES CC(=O)OC1CC2C(C)(C)C(=O)C=CC2(C)C2CCC3(C)C(=CCC3C(CO)CC(O)C(=O)C(C)(C)O)C12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAzadirachta indica Ref.
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