input word = C00056373

Metabolite InformationStructural formula
Name 17-Epilimonin
Formula C26H30O8
Mw 470.19406794
CAS RN 1037295-56-9
C_ID C00056373
InChIKey KBDSLGBFQAGHBE-BZDFHCBHSA-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+/m0/s1
SMILES O=C(C1)OC[C@@]([C@@]2([H])C3)([C@@]1([H])OC2(C)C)[C@@]([C@@]4(C)C3=O)([H])CC[C@@]([C@]4(O5)[C@@]65[H])(C)[C@](C7=COC=C7)([H])OC6=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus spp. Ref.
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OrganismCitrus spp.
ReferenceSchechter, M. et al., JACS, 1940, 62, 1307-1309 (bibl)