limonoate
Chemical Formula:
C26H32O10
Molecular Weight:
504.533 Daltons
Monoisotopic Mass:
506.21519731240005 Daltons
SMILES:
CC5(O[CH](CC(=O)[O-])C4(CO)([CH](CC(=O)C3(C)([CH](CCC(C)(C(O)C1(=COC=C1))C2(OC(C(=O)[O-])2)3)4))5))(C)
InChI:
1S/C26H34O10/c1-22(2)15-9-16(28)24(4)14(25(15,12-27)17(35-22)10-18(29)30)5-7-23(3,19(31)13-6-8-34-11-13)26(24)20(36-26)21(32)33/h6,8,11,14-15,17,19-20,27,31H,5,7,9-10,12H2,1-4H3,(H,29,30)(H,32,33)/p-2/t14-,15-,17-,19-,20+,23-,24-,25+,26+/m0/s1
InChIKey:
Databases
MetaCyc:
LIMONOATE
ChEBI:
57763
PubChem (CID):
25201054
KEGG:
C01593
Seed:
cpd01120
MetaNetX:
MNXM4034