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neohesperidin

PropertiesImage
MNX_IDMNXM1371893 Image of MNXM1371893
referencechebi:59016
formulaC28H34O15
global charge0
mol weight610.565
InChIKeyARGKVCXINMKCAZ-UZRWAPQLSA-N
InChIInChI=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
SMILESCOC1=C(O)C=C([C@@H]2CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)C=C3O2)C=C1
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM1371893
SMILES (mnx)[CH3:1][C@H:10]1[C@H:21]([OH:33])[C@@H:23]([OH:35])[C@@H:25]([OH:37])[C@H:27]([O:43][C@@H:26]2[C@@H:24]([OH:36])[C@H:22]([OH:34])[C@@H:19]([CH2:9][OH:29])[O:42][C@H:28]2[O:40][C:12]2=[CH:6][C:14]([OH:31])=[C:20]3[C:15](=[O:32])[CH2:8][C@@H:17]([C:11]4=[CH:5][C:13]([OH:30])=[C:16]([O:38][CH3:2])[CH:4]=[CH:3]4)[O:41][C:18]3=[CH:7]2)[O:39]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:59016
chebi:59016
ARGKVCXINMKCAZ-UZRWAPQLSA-N 		neohesperidin
(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranoside
(S)-7-(((2-O-6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one
Hesperetin 7-O-neohesperidoside
Neohesperidin

lipidmaps:LMPK12140452
lipidmapsM:LMPK12140452
ARGKVCXINMKCAZ-UZRWAPQLSA-N 		Neohesperidin

sabiork.compound:11893
sabiorkM:11893
kegg.compound:C09806
keggC:C09806
ARGKVCXINMKCAZ-UZRWAPQLSA-N 		Neohesperidin
Hesperetin 7-O-neohesperidoside

chebi:7504
keggC:M_C09806 		secondary/obsolete/fantasy identifier