Search MNXref
 Feedback

(2S)-hesperidin

MNXM4613 is deprecated and here replaced by MNXM736507
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM736507 Image of MNXM736507
referencechebi:28775
formulaC28H34O15
global charge0
mol weight610.565
InChIKeyQUQPHWDTPGMPEX-QJBIFVCTSA-N
InChIInChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,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(C=C(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)C=C3O)O2)C=C1
MNX internals
InChI (mnx)InChI=1/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1 Image of MNXM736507
SMILES (mnx)[CH3:1][C@H:10]1[C@H:21]([OH:32])[C@@H:23]([OH:34])[C@@H:25]([OH:36])[C@H:27]([O:39][CH2:9][C@@H:19]2[C@@H:22]([OH:33])[C@H:24]([OH:35])[C@@H:26]([OH:37])[C@H:28]([O:41][C:12]3=[CH:6][C:14]([OH:30])=[C:20]4[C:15](=[O:31])[CH2:8][C@@H:17]([C:11]5=[CH:5][C:13]([OH:29])=[C:16]([O:38][CH3:2])[CH:4]=[CH:3]5)[O:42][C:18]4=[CH:7]3)[O:43]2)[O:40]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:28775
chebi:28775
QUQPHWDTPGMPEX-QJBIFVCTSA-N 		(2S)-hesperidin
(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
(S)-(-)-hesperidin
Cirantin
Ciratin
Hesperetin 7-O-rutinoside
Hesperidin
Hesperidoside
hesperidin

seed.compound:cpd06647
seedM:cpd06647
QUQPHWDTPGMPEX-QJBIFVCTSA-N 		Ciratin
Hesperetin 7-O-rutinoside
Hesperidin
Mabioside
Nicotiflorin
Rutin
Rutinose
Rutinoside
hesperetin 7-(6-O-alpha-L-rhamnopyranosyl)-beta-D-glucopyranoside
hesperidin

lipidmaps:LMPK12140451
lipidmapsM:LMPK12140451
QUQPHWDTPGMPEX-QJBIFVCTSA-N 		Hesperidin

kegg.drug:D01038
keggD:D01038
QUQPHWDTPGMPEX-QJBIFVCTSA-N 		Hesperidin (JAN)
hmdb:HMDB0003265
QUQPHWDTPGMPEX-QJBIFVCTSA-N 		Hesperidin
(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-{[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one
(2S)-Hesperidin
(S)-(-)-Hesperidin
2S, Hesperidin
7-Rhamnoglucoside, hesperetin
Atripliside b
Cirantin
Ciratin
Flavanone, 3',5,7-trihydroxy-4'-methoxy-, 7-(6-O-a-L-rhamnosyl-D-glucoside) (7ci)
Flavanone, 3',5,7-trihydroxy-4'-methoxy-, 7-(6-O-alpha-L-rhamnosyl-delta-glucoside) (7ci)
Hesper bitabs
Hesperetin 7 rhamnoglucoside
Hesperetin 7 rutinoside
Hesperetin 7-O-rutinoside
Hesperetin 7-rhamnoglucoside
Hesperetin-7-rutinoside
Hesperetin-rutinoside
Hesperidin 2S
Hesperidine
Hesperidoside
Hesperitin-7-rhamnoglucoside
hesperidine

kegg.compound:C09755
keggC:C09755
QUQPHWDTPGMPEX-QJBIFVCTSA-N 		Hesperidin
Ciratin
Hesperetin 7-O-rutinoside

metacyc.compound:CPD-7075
metacycM:CPD-7075
QUQPHWDTPGMPEX-QJBIFVCTSA-N 		hesperidin
hesperetin 7-O-[alpha-L-rhamnopyranosyl-(1->6)]-beta-D-glucopyranoside

hmdb:HMDB03265
chebi:24530
chebi:5682
keggC:M_C09755
keggD:M_D01038
seedM:M_cpd06647 		secondary/obsolete/fantasy identifier