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kaempferol 3-O-(3"-O-4-coumaroyl)-glucoside

PropertiesImage
MNX_IDMNXM114690 Image of MNXM114690
referencemetacycM:CPD-14988
formulaC30H26O13
global charge0
mol weight594.525
InChIKeyVNHVNFCIDMAHID-CSUGHPSWSA-N
InChIInChI=1S/C30H26O13/c31-13-21-24(37)28(42-22(36)10-3-14-1-6-16(32)7-2-14)26(39)30(41-21)43-29-25(38)23-19(35)11-18(34)12-20(23)40-27(29)15-4-8-17(33)9-5-15/h1-12,21,24,26,28,30-35,37,39H,13H2/b10-3+/t21-,24-,26-,28+,30+/m1/s1
SMILESO=C(/C=C/C1=CC=C(O)C=C1)O[C@@H]1[C@@H](O)[C@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)O[C@H](CO)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C30H26O13/c31-13-21-24(37)28(42-22(36)10-3-14-1-6-16(32)7-2-14)26(39)30(41-21)43-29-25(38)23-19(35)11-18(34)12-20(23)40-27(29)15-4-8-17(33)9-5-15/h1-12,21,24,26,28,30-35,37,39H,13H2/b10-3+/t21-,24-,26-,28+,30+/m1/s1 Image of MNXM114690
SMILES (mnx)[CH:1]1=[CH:6][C:16]([OH:32])=[CH:7][CH:2]=[C:14]1/[CH:3]=[CH:10]/[C:22](=[O:36])[O:42][C@H:28]1[C@H:24]([OH:37])[C@@H:21]([CH2:13][OH:31])[O:41][C@@H:30]([O:43][C:29]2=[C:27]([C:15]3=[CH:5][CH:9]=[C:17]([OH:33])[CH:8]=[CH:4]3)[O:40][C:20]3=[CH:12][C:18]([OH:34])=[CH:11][C:19]([OH:35])=[C:23]3[C:25]2=[O:38])[C@@H:26]1[OH:39]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-14988
metacycM:CPD-14988
VNHVNFCIDMAHID-CSUGHPSWSA-N 		kaempferol 3-O-(3"-O-4-coumaroyl)-glucoside
kaempferol 3-O-(3"-O-p-coumaroyl)-glucoside

lipidmaps:LMPK12111790
lipidmapsM:LMPK12111790
VNHVNFCIDMAHID-CSUGHPSWSA-N 		Kaempferol 3-(3''-p-coumarylglucoside)

seed.compound:cpd34728
seedM:cpd34728
VNHVNFCIDMAHID-CSUGHPSWSA-M 		kaempferol 3-O-(3"-O-p-coumaroyl)-glucoside

seedM:M_cpd34728 		secondary/obsolete/fantasy identifier