input word = C00041044

Metabolite InformationStructural formula
Name Limonexic acid
Formula C26H30O10
Mw 502.18389718
CAS RN 73904-93-5
C_ID C00041044 ,
InChIKey DNNFETMOXYZICP-GNYLNRDENA-N
InChICode InChI=1S/C26H30O10/c1-22(2)13-8-14(27)24(4)12(25(13)10-32-16(28)9-15(25)35-22)5-6-23(3)18(11-7-17(29)33-20(11)30)34-21(31)19-26(23,24)36-19/h7,12-13,15,17-19,29H,5-6,8-10H2,1-4H3/t12-,13+,15+,17+,18+,19-,23+,24+,25-,26-/m1/s1
SMILES [C@@H]12[C@@](C(=O)C[C@@H]3[C@@]41[C@@H](OC3(C)C)CC(=O)OC4)([C@]13[C@@](CC2)([C@@H](OC(=O)[C@H]1O3)C1=C[C@H](OC1=O)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus spp. Ref.
PlantaeRutaceaeDictamnus angustifolius Ref.
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OrganismCitrus spp.
ReferenceDreyer, D.L.Tetrahedron, 1965, 21, 75-87 (Limonexic acid, pmr, bibl)