limonin

Chemical Formula:

C₂₆H₃₀O₈

Molecular Weight:

470.518 Daltons

Monoisotopic Mass:

470.1940679398 Daltons

SMILES:

CC7(O[CH]1(CC(OCC61([CH](CC(=O)C4(C)([CH](CCC2(C)(C(OC(=O)C3(OC234))C5(=COC=C5)))6))7))=O))(C)

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

Synonyms

limonoate D-ring-lactone

Databases

MetaCyc: LIMONIN

RefMet: Limonin

MetaboLights: MTBLC16226

HMDB: HMDB35921

ChemSpider: 156367

PubChem (CID): 179651

KEGG: C03514

ChEBI: 16226

MetaNetX: MNXM2019