input word = C00052567

Metabolite InformationStructural formula
Name 1alpha,2alpha-epoxynimolicinol
Formula C28H34O8
Mw 498.22536806
CAS RN 451463-17-5
C_ID C00052567
InChIKey HWIVSWJVKFNOCH-AYDKOOPOSA-N
InChICode InChI=1S/C28H34O8/c1-14(29)34-19-11-17-24(2,3)22(31)21-23(35-21)27(17,6)16-7-9-25(4)18(26(16,19)5)12-20(30)36-28(25,32)15-8-10-33-13-15/h8,10,12-13,16-17,19,21,23,32H,7,9,11H2,1-6H3/t16-,17-,19+,21-,23-,25+,26+,27+,28+/m0/s1
SMILES O[C@]([C@@]1(C)C([C@]2(C)[C@H](OC(C)=O)C[C@@]3([H])C(C)(C)C([C@@]4([H])[C@@](O4)([H])[C@]3(C)[C@@]2([H])CC1)=O)=C5)(C6=COC=C6)OC5=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAzadirachta indica Ref.
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