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Hesperetin 7-neohesperidoside

MNXM737711 is deprecated and here replaced by MNXM1371892
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1371892 Image of MNXM1371892
referencechebi:192003
formulaC28H34O15
global charge0
mol weight610.565
InChIKeyARGKVCXINMKCAZ-UHFFFAOYSA-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
SMILESCOC1=C(O)C=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C=C3O)O2)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? Image of MNXM1371892
SMILES (mnx)[CH3:1][CH:10]1[CH:21]([OH:33])[CH:23]([OH:35])[CH:25]([OH:37])[CH:27]([O:43][CH:26]2[CH:24]([OH:36])[CH:22]([OH:34])[CH:19]([CH2:9][OH:29])[O:42][CH:28]2[O:40][C:12]2=[CH:6][C:14]([OH:31])=[C:20]3[C:15](=[O:32])[CH2:8][CH: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)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:192003
chebi:192003
ARGKVCXINMKCAZ-UHFFFAOYSA-N 		Hesperetin 7-neohesperidoside
7-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
hmdb:HMDB0030748
ARGKVCXINMKCAZ-UHFFFAOYSA-N 		Hesperetin 7-neohesperidoside
7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-1-benzopyran-4-one
7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
Hesperetin 7-O-neohesperidoside
Neohesperidin

hmdb:HMDB30748 		secondary/obsolete/fantasy identifier