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Kaempferol 3- (6''-p-coumarylgalactoside)

MNXM23979 is deprecated and replaced by MNXM151439
PropertiesImage
MNX_IDMNXM151439 Image of MNXM151439
referencelipidmapsM:LMPK12111691
formulaC30H26O13
global charge0
mol weight594.525
InChIKeyDVGGLGXQSFURLP-RGKUSLIUSA-N
InChIInChI=1S/C30H26O13/c31-16-6-1-14(2-7-16)3-10-22(35)40-13-21-24(36)26(38)27(39)30(42-21)43-29-25(37)23-19(34)11-18(33)12-20(23)41-28(29)15-4-8-17(32)9-5-15/h1-12,21,24,26-27,30-34,36,38-39H,13H2/b10-3+/t21-,24+,26+,27-,30+/m1/s1
SMILESO=C(/C=C/C1=CC=C(O)C=C1)OC[C@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=C(C2=O)C(O)=CC(O)=C3)[C@H](O)[C@@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C30H26O13/c31-16-6-1-14(2-7-16)3-10-22(35)40-13-21-24(36)26(38)27(39)30(42-21)43-29-25(37)23-19(34)11-18(33)12-20(23)41-28(29)15-4-8-17(32)9-5-15/h1-12,21,24,26-27,30-34,36,38-39H,13H2/b10-3+/t21-,24+,26+,27-,30+/m1/s1 Image of MNXM151439
SMILES (mnx)[CH:1]1=[CH:6][C:16]([OH:31])=[CH:7][CH:2]=[C:14]1/[CH:3]=[CH:10]/[C:22](=[O:35])[O:40][CH2:13][C@@H:21]1[C@H:24]([OH:36])[C@H:26]([OH:38])[C@@H:27]([OH:39])[C@H:30]([O:43][C:29]2=[C:28]([C:15]3=[CH:5][CH:9]=[C:17]([OH:32])[CH:8]=[CH:4]3)[O:41][C:20]3=[CH:12][C:18]([OH:33])=[CH:11][C:19]([OH:34])=[C:23]3[C:25]2=[O:37])[O:42]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

lipidmaps:LMPK12111691
lipidmapsM:LMPK12111691
DVGGLGXQSFURLP-RGKUSLIUSA-N 		Kaempferol 3- (6''-p-coumarylgalactoside)
hmdb:HMDB0040689
DVGGLGXQSFURLP-XCVCLJGOSA-N 		6''-O-p-Coumaroyltrifolin
(6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate
(6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoic acid
(6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate
Kaempferol 3-(6-P-coumaroylgalactoside)

CHEBI:168898
chebi:168898
DVGGLGXQSFURLP-XCVCLJGOSA-N 		6''-O-p-Coumaroyltrifolin
[6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate

hmdb:HMDB40689 		secondary/obsolete/fantasy identifier