neohesperidin
Chemical Formula:
C28H34O15
Molecular Weight:
610.568 Daltons
Monoisotopic Mass:
610.1897704229 Daltons
SMILES:
CC5(OC(OC1(C(C(C(OC1OC2(C=C3(OC(CC(C(=C(C=2)O)3)=O)C4(C=C(C(=CC=4)OC)O))))CO)O)O))C(C(C5O)O)O)
InChI:
1S/C28H34O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-7,10,17,19,21-31,33-37H,8-9H2,1-2H3/t10-,17?,19+,21-,22+,23+,24-,25+,26?,27+,28+/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-7074
PubChem (CID):
91820153
MetaboLights:
MTBLC59016
HMDB:
HMDB30748
LIPID MAPS:
LMPK12140452
ChEBI:
59016
KEGG:
C09806
Seed:
cpd06698
MetaNetX:
MNXM7591