input word = C00052895

Metabolite InformationStructural formula
Name Deacetylazadirachtinol
Formula C33H42O14
Mw 662.25745605
CAS RN 106500-25-8
C_ID C00052895
InChIKey USRBWQQLHKQWAV-ZGKQVQOISA-N
InChICode InChI=1S/C33H42O14/c1-7-14(2)24(36)45-17-11-16(34)30-12-44-20(25(37)40-5)21(30)28(3,23(35)19-22(30)31(17,13-43-19)26(38)41-6)33-18-10-15(29(33,4)47-33)32(39)8-9-42-27(32)46-18/h7-9,15-23,27,34-35,39H,10-13H2,1-6H3/b14-7+/t15-,16+,17-,18+,19-,20+,21+,22-,23-,27+,28+,29+,30-,31+,32+,33+/m1/s1
SMILES C/C=C(C)C(=O)O[C@@H]1C[C@H](O)[C@]23CO[C@H](C(=O)OC)[C@H]2[C@](C)([C@]24O[C@@]2(C)[C@H]2C[C@@H]4O[C@@H]4OC=C[C@@]42O)[C@H](O)[C@@H]2OC[C@@]1(C(=O)OC)[C@H]23
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAzadirachta indica Ref.
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