limonin 17-β-D-glucoside

Chemical Formula:

C₃₂H₄₂O₁₄

Molecular Weight:

650.675 Daltons

Monoisotopic Mass:

650.2574560575999 Daltons

SMILES:

CC7(O[CH]1(CC(OCC61([CH](CC(=O)C5(C)([CH](CCC(C)(C(C2(=COC=C2))OC3(OC(CO)C(O)C(O)C(O)3))C4(OC(C(=O)O)4)5)6))7))=O))(C)

InChI:

1S/C32H42O14/c1-28(2)17-9-18(34)30(4)16(31(17)13-42-20(35)10-19(31)45-28)5-7-29(3,32(30)25(46-32)26(39)40)24(14-6-8-41-12-14)44-27-23(38)22(37)21(36)15(11-33)43-27/h6,8,12,15-17,19,21-25,27,33,36-38H,5,7,9-11,13H2,1-4H3,(H,39,40)/t15-,16+,17+,19+,21-,22+,23-,24+,25-,27+,29+,30+,31-,32-/m1/s1

InChIKey:

FYIKIBQJAJRKQM-WNCNYDOCSA-N

Synonyms

glucosyl-limonin

Databases

MetaCyc: GLUCOSYL-LIMONIN

PubChem (CID): 24820753

ChEBI: 16063

KEGG: C06740

RefMet: Limonin 17-beta-D-glucoside

Seed: cpd12897

MetaNetX: MNXM3298