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Pelargonidin 3-rhamnoside

MNXM27957 is deprecated and here replaced by MNXM1368937
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1368937 Image of MNXM1368937
referencehmdb:HMDB0038085
formulaC21H21O9
global charge1
mol weight417.39
InChIKeyRFOBAKWGJRIIMU-UHFFFAOYSA-O
InChIInChI=1S/C21H20O9/c1-9-17(25)18(26)19(27)21(28-9)30-16-8-13-14(24)6-12(23)7-15(13)29-20(16)10-2-4-11(22)5-3-10/h2-9,17-19,21,25-27H,1H3,(H2-,22,23,24)/p+1
SMILESCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C=C2)C(O)C(O)C1O
MNX internals
InChI (mnx)InChI=1/C21H20O9/c1-9-17(25)18(26)19(27)21(28-9)30-16-8-13-14(24)6-12(23)7-15(13)29-20(16)10-2-4-11(22)5-3-10/h2-9,17-19,21,25-27H,1H3,(H2-,22,23,24)/t9?,17?,18?,19?,21? Image of MNXM1368937
SMILES (mnx)[CH3:1][CH:9]1[CH:17]([OH:25])[CH:18]([OH:26])[CH:19]([OH:27])[CH:21]([O:30][C:16]2=[CH:8][C:13]3=[C:14]([O-:24])[CH:6]=[C:12]([OH:23])[CH:7]=[C:15]3[O+:29]=[C:20]2[C:10]2=[CH:3][CH:5]=[C:11]([OH:22])[CH:4]=[CH:2]2)[O:28]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
hmdb:HMDB0038085
RFOBAKWGJRIIMU-UHFFFAOYSA-O 		Pelargonidin 3-rhamnoside
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-1lambda⁴-chromen-1-ylium
5-(2-(Diethylamino)acetamido)-3-methyl-isothiazole
5-(2-(Diethylamino)acetamido)-3-methylisothiazole

hmdb:HMDB38085 		secondary/obsolete/fantasy identifier