input word = C00003719

Metabolite InformationStructural formula
Name Limonin
Limonine
Formula C26H30O8
Mw 470.19406794
CAS RN 1180-71-8
C_ID C00003719 ,
InChIKey KBDSLGBFQAGHBE-GVFPMXKVNA-N
InChICode InChI=1S/C26H30O8/c1-22(2)15-9-16(27)24(4)14(25(15)12-31-18(28)10-17(25)33-22)5-7-23(3)19(13-6-8-30-11-13)32-21(29)20-26(23,24)34-20/h6,8,11,14-15,17,19-20H,5,7,9-10,12H2,1-4H3/t14-,15+,17+,19+,20-,23+,24+,25-,26-/m1/s1
SMILES CC1(C)O[C@H]2CC(=O)OC[C@]23[C@H]2CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)[C@H]5O[C@]54[C@]2(C)C(=O)C[C@@H]13
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAtractylodes chinensis Ref.
PlantaeMeliaceaeMelia toosendan Ref.
PlantaeRanunculaceaeCoptis chinensis Ref.
PlantaeRanunculaceaeCoptis deltoidea Ref.
PlantaeRanunculaceaeCoptis teeta Ref.
PlantaeRutaceaeCitrus aurantium Ref.
PlantaeRutaceaeCitrus bergania Ref.
PlantaeRutaceaeCitrus grandis Ref.
PlantaeRutaceaeCitrus junos Ref.
PlantaeRutaceaeCitrus limon Ref.
PlantaeRutaceaeCitrus maxima Ref.
PlantaeRutaceaeCitrus paradisi Ref.
PlantaeRutaceaeCitrus reticulata Ref.
PlantaeRutaceaeCitrus sinensis Ref.
PlantaeRutaceaeCitrus spp Ref.
PlantaeRutaceaeCitrus spp. Ref.
PlantaeRutaceaeCitrus sudachi Ref.
PlantaeRutaceaeCitrus sudachii Ref.
PlantaeRutaceaeCitrus tamurana Hort. Ref.
PlantaeRutaceaeCitrus unshiu Markovich Ref.
PlantaeRutaceaeDictamnus angustifolius Ref.
PlantaeRutaceaeDictamnus dasycarpus Ref.
PlantaeRutaceaeDictamnus radicis Cortex Ref.
PlantaeRutaceaeEuodia rutaecarpa Ref.
PlantaeRutaceaeOricia suaveolens Ref.
PlantaeRutaceaePhellodendron amurense var.wilsonii Ref.
PlantaeRutaceaePhellodendron chinense Ref.
--Azadiractia indica Ref.
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OrganismCitrus maxima
ReferenceFan, S. et al., Molecules, 24, (2019), 3679.