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limonin

Go to external page http://purl.obolibrary.org/obo/CHEBI_16226

Term info

Label

limonin

Synonyms
  • (4aS,6aR,8aR,8bR,9aS,12R,12aS,14aR,14bR)-12-(3-furyl)-6,6,8a,12a-tetramethyldecahydro-3H-oxireno[d]pyrano[4',3':3,3a][2]benzofuro[5,4-f]isochromene-3,8,10(6H,9aH)-trione
  • Limonin
  • limonin
database cross reference
Subsets

3_STAR

BRAND NAME
Evodia fruit [ KEGG_DRUG ]

IUPAC NAME
(4aS,6aR,8aR,8bR,9aS,12R,12aS,14aR,14bR)-12-(3-furyl)-6,6,8a,12a-tetramethyldecahydro-3H-oxireno[d]pyrano[4',3':3,3a][2]benzofuro[5,4-f]isochromene-3,8,10(6H,9aH)-trione [ IUPAC ]

charge

0

formula

C26H30O8

has alternative id

CHEBI:6467, CHEBI:14511, CHEBI:25042, CHEBI:14509

has obo namespace

chebi_ontology

has related synonym

limonoic acid 3,19:16,17-dilactone, Obaculactone, Limonoate D-ring-lactone, Evodia fruit, 7,16-Dioxo-7,16-dideoxylimondiol, Limonoic acid, di-delta-lactone, Citrolimonin, Evodin, Dictamnolactone

id

CHEBI:16226

inchi

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

inchikey

KBDSLGBFQAGHBE-MSGMIQHVSA-N

mass

470.51160

monoisotopicmass

470.19407

smiles

[H][C@]12CC(=O)OC[C@]11[C@@]3([H])CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@@]45[C@]3(C)C(=O)C[C@@]1([H])C(C)(C)O2)c1ccoc1