input word = C00049117

Metabolite InformationStructural formula
Name Azadirolic acid
Formula C30H42O6
Mw 498.29813907
CAS RN 210103-51-8
C_ID C00049117 ,
InChIKey BRINQTOFCWWSPH-VMBTURRDNA-N
InChICode InChI=1S/C30H42O6/c1-17(9-8-10-23(33)34)19-11-12-20-28(19,5)15-13-21-29(6)16-14-22(32)27(3,4)25(29)24(36-18(2)31)26(35)30(20,21)7/h9,12,14,16,19,21,24-26,35H,8,10-11,13,15H2,1-7H3,(H,33,34)/b17-9-/t19-,21+,24-,25+,26+,28-,29+,30-/m0/s1
SMILES C1[C@H]2[C@](C3=CC[C@H]([C@@]3(C1)C)/C(=C\CCC(=O)O)/C)([C@@H]([C@H]([C@H]1[C@@]2(C=CC(=O)C1(C)C)C)OC(=O)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAzadirachta indica Ref.
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