Search MNXref
 Feedback

kaempferol 3-beta-gentiobioside

MNXM58734 is deprecated and here replaced by MNXM738503
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM738503 Image of MNXM738503
referencechebi:136785
formulaC27H30O16
global charge0
mol weight610.521
InChIKeyBITPRCODIALMOV-DEFKTLOSSA-N
InChIInChI=1S/C27H30O16/c28-7-14-17(32)20(35)22(37)26(41-14)39-8-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-12(31)5-11(30)6-13(16)40-24(25)9-1-3-10(29)4-2-9/h1-6,14-15,17-18,20-23,26-33,35-38H,7-8H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m1/s1
SMILESO=C1C(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)=C(C2=CC=C(O)C=C2)OC2=C1C(O)=CC(O)=C2
MNX internals
InChI (mnx)InChI=1/C27H30O16/c28-7-14-17(32)20(35)22(37)26(41-14)39-8-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-12(31)5-11(30)6-13(16)40-24(25)9-1-3-10(29)4-2-9/h1-6,14-15,17-18,20-23,26-33,35-38H,7-8H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m1/s1 Image of MNXM738503
SMILES (mnx)[CH:1]1=[CH:3][C:10]([OH:29])=[CH:4][CH:2]=[C:9]1[C:24]1=[C:25]([O:43][C@H:27]2[C@H:23]([OH:38])[C@@H:21]([OH:36])[C@H:18]([OH:33])[C@@H:15]([CH2:8][O:39][C@H:26]3[C@H:22]([OH:37])[C@@H:20]([OH:35])[C@H:17]([OH:32])[C@@H:14]([CH2:7][OH:28])[O:41]3)[O:42]2)[C:19](=[O:34])[C:16]2=[C:12]([OH:31])[CH:5]=[C:11]([OH:30])[CH:6]=[C:13]2[O:40]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:136785
chebi:136785
BITPRCODIALMOV-DEFKTLOSSA-N 		kaempferol 3-beta-gentiobioside
5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl 6-O-beta-D-glucosyl-beta-D-glucoside
5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside
5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl beta-D-glucosyl-(1->6)-beta-D-glucoside
Kaempferol 3-O-gentiobioside
kaempferol 3-O-beta-gentiobioside
kaempferol 3-gentiobioside
kaempferol beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside
kaempferol beta-D-glucosyl-(1->6)-beta-D-glucoside
kaempferol-3-gentiobioside

lipidmaps:LMPK12111731
lipidmapsM:LMPK12111731
BITPRCODIALMOV-DEFKTLOSSA-N 		Kaempferol 3-gentiobioside
hmdb:HMDB0303606
BITPRCODIALMOV-DEFKTLOSSA-N 		Kaempferol 3-gentiobioside
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl 6-O-b-D-glucosyl-b-D-glucoside
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl 6-O-beta-D-glucosyl-beta-D-glucoside
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl b-D-glucopyranosyl-(1->6)-b-D-glucopyranoside
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl b-D-glucosyl-(1->6)-b-D-glucoside
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl beta-D-glucosyl-(1->6)-beta-D-glucoside
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-one
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}chromen-4-one
Kaempferol 3-O-b-gentiobioside
Kaempferol 3-O-beta-gentiobioside
Kaempferol 3-O-gentiobioside
Kaempferol 3-b-gentiobioside
Kaempferol 3-beta-gentiobioside
Kaempferol b-D-glucopyranosyl-(1->6)-b-D-glucopyranoside
Kaempferol b-D-glucosyl-(1->6)-b-D-glucoside
Kaempferol beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside
Kaempferol beta-D-glucosyl-(1->6)-beta-D-glucoside
Kaempferol-3-gentiobioside

metacyc.compound:CPD-14847
metacycM:CPD-14847
seed.compound:cpd32881
seedM:cpd32881
BITPRCODIALMOV-DEFKTLOSSA-L
BITPRCODIALMOV-DEFKTLOSSA-N 		kaempferol 3-O-beta-gentiobioside
kaempferol-3-gentiobioside

seedM:M_cpd32881 		secondary/obsolete/fantasy identifier