input word = C00049118

Metabolite InformationStructural formula
Name Azadironol
Formula C32H42O6
Mw 522.29813907
CAS RN 210103-53-0
C_ID C00049118 ,
InChIKey SHLMROUFGOICOQ-DUIYGNLXNA-N
InChICode InChI=1S/C32H42O6/c1-29(2)24-18-27(38-28(36)12-8-19-7-9-21(37-6)20(33)17-19)32(5)22-10-11-26(35)31(22,4)15-13-23(32)30(24,3)16-14-25(29)34/h7-9,12,14,16-17,22-24,26-27,33,35H,10-11,13,15,18H2,1-6H3/b12-8+/t22-,23-,24+,26-,27-,30-,31-,32+/m1/s1
SMILES COc1ccc(/C=C/C(=O)O[C@@H]2C[C@H]3C(C)(C)C(=O)C=C[C@]3(C)[C@H]3CC[C@@]4(C)[C@H](O)CC[C@H]4[C@@]32C)cc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAzadirachta indica Ref.
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