Search MNXref
 Feedback

Apigenin 7-neohesperidoside

MNXM8316 is deprecated and here replaced by MNXM1371711
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1371711 Image of MNXM1371711
referencechebi:197001
formulaC27H30O14
global charge0
mol weight578.523
InChIKeyRPMNUQRUHXIGHK-IFRYUKCBSA-N
InChIInChI=1S/C27H30O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3/t10?,18?,20-,21+,22-,23-,24?,25?,26-,27+/m0/s1
SMILESCC1O[C@@H](OC2[C@H](OC3=CC(O)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)OC(CO)[C@@H](O)[C@@H]2O)C(O)[C@@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C27H30O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3/t10?,18?,20-,21+,22-,23-,24?,25?,26-,27+/m0/s1 Image of MNXM1371711
SMILES (mnx)[CH3:1][CH:10]1[C@H:20]([OH:32])[C@H:22]([OH:34])[CH:24]([OH:36])[C@H:26]([O:41][CH:25]2[C@@H:23]([OH:35])[C@H:21]([OH:33])[CH:18]([CH2:9][OH:28])[O:40][C@H:27]2[O:38][C:13]2=[CH:6][C:14]([OH:30])=[C:19]3[C:15](=[O:31])[CH:8]=[C:16]([C:11]4=[CH:3][CH:5]=[C:12]([OH:29])[CH:4]=[CH:2]4)[O:39][C:17]3=[CH:7]2)[O:37]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:197001
chebi:197001
RPMNUQRUHXIGHK-IFRYUKCBSA-N 		Apigenin 7-neohesperidoside
7-[(2S,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
hmdb:HMDB0038848
RPMNUQRUHXIGHK-UHFFFAOYSA-N 		Rhoifolin
(-)-Rhoifolin
7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
Apigenin 7-O-neohesperidoside
Apigenin 7-neohesperidoside
Rhoifoloside
rhoifolin

hmdb:HMDB38848 		secondary/obsolete/fantasy identifier