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CHEBI:38510 - azadirachtin H

ChEBI IDCHEBI:38510
ChEBI Nameazadirachtin H
Stars
Last Modified6 March 2015
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC33H42O14
Net Charge0
Average Mass662.685
Monoisotopic Mass662.25746
SMILES[H][C@@]12OC=C[C@]1(O)[C@@H]1C[C@H](O2)[C@@]2([C@]3(C)[C@H](O)[C@@H]4OC[C@]5(C(=O)OC)[C@H](OC(C)=O)C[C@H](OC(=O)/C(C)=C/C)[C@@]6(CO[C@]([H])(O)[C@@]36[H])[C@@]45[H])O[C@@]12C
InChIInChI=1S/C33H42O14/c1-7-14(2)24(36)45-17-11-18(44-15(3)34)31(26(38)40-6)13-42-20-21(31)30(17)12-43-25(37)22(30)28(4,23(20)35)33-19-10-16(29(33,5)47-33)32(39)8-9-41-27(32)46-19/h7-9,16-23,25,27,35,37,39H,10-13H2,1-6H3/b14-7+/t16-,17+,18-,19+,20-,21-,22+,23-,25+,27+,28+,29+,30+,31+,32+,33+/m1/s1
InChIKeyILMJTWSQVCYIKY-YAYGENDCSA-N
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Applications:
phytogenic insecticide  An insecticide compound naturally occurring in plants.
ChEBI Ontology
Outgoing Relation(s)
azadirachtin H (CHEBI:38510) is a azadirachtin (CHEBI:38473)
azadirachtin H (CHEBI:38510) is a methyl ester (CHEBI:25248)
IUPAC Name 
methyl (2aR,3S,4S,4aR,5S,7aS,8S,10R,10aS,10bR)-10-acetoxy-3,5-dihydroxy-4-[(1aR,2S,3aS,6aS,7S,7aS)-6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl]-4-methyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}octahydro-1H-naphtho[1,8a-c:4,5-b'c']difuran-10a(8H)-carboxylate
Registry NumbersSources
Beilstein:7508573Beilstein