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apigenin 7-O-(6-O-malonyl-beta-D-glucoside)

MNXM8315 is deprecated and here replaced by MNXM1371815
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1371815 Image of MNXM1371815
referencechebi:169949
formulaC24H20O13
global charge-2
mol weight516.411
InChIKeyJXWAQRJFONLTSI-ASDZUOGYSA-L
InChIInChI=1S/C24H22O13/c25-11-3-1-10(2-4-11)15-7-14(27)20-13(26)5-12(6-16(20)36-15)35-24-23(33)22(32)21(31)17(37-24)9-34-19(30)8-18(28)29/h1-7,17,21-26,31-33H,8-9H2,(H,28,29)/p-2/t17-,21-,22+,23-,24-/m1/s1
SMILESO=C([O-])CC(=O)OC[C@H]1O[C@@H](OC2=CC([O-])=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C24H22O13/c25-11-3-1-10(2-4-11)15-7-14(27)20-13(26)5-12(6-16(20)36-15)35-24-23(33)22(32)21(31)17(37-24)9-34-19(30)8-18(28)29/h1-7,17,21-26,31-33H,8-9H2,(H,28,29)/t17-,21-,22+,23-,24-/m1/s1 Image of MNXM1371815
SMILES (mnx)[CH:1]1=[CH:3][C:11]([OH:25])=[CH:4][CH:2]=[C:10]1[C:15]1=[CH:7][C:14](=[O:27])[C:20]2=[C:13]([OH:26])[CH:5]=[C:12]([O:35][C@H:24]3[C@H:23]([OH:33])[C@@H:22]([OH:32])[C@H:21]([OH:31])[C@@H:17]([CH2:9][O:34][C:19]([CH2:8][C:18](=[O:28])[OH:29])=[O:30])[O:37]3)[CH:6]=[C:16]2[O:36]1
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

CHEBI:169949
chebi:169949
JXWAQRJFONLTSI-ASDZUOGYSA-L 		apigenin 7-O-(6-O-malonyl-beta-D-glucoside)
apigenin 7-O-(6-O-malonyl-beta-D-glucoside)(2-)

lipidmaps:LMPK12110373
lipidmapsM:LMPK12110373
JXWAQRJFONLTSI-ASDZUOGYSA-N 		Apigenin 7-(6''-malonylglucoside)

kegg.compound:C10020
keggC:C10020
JXWAQRJFONLTSI-ASDZUOGYSA-N 		Apigenin 7-(6''-malonylglucoside)
Apigenin 7-O-(6-malonyl-beta-D-glucoside)

seed.compound:cpd06910
seedM:cpd06910
JXWAQRJFONLTSI-ASDZUOGYSA-L 		Apigenin 7-(6''-malonylglucoside)
Apigenin 7-O-(6-malonyl-beta-D-glucoside)
apigenin 7-O(6-malonyl-beta-D-glucoside)
apigenin 7-O-(6-malonyl-beta-D-glucoside)

CHEBI:166640
chebi:166640
JXWAQRJFONLTSI-ASDZUOGYSA-N 		Apigenin 7-O-(6-malonyl-beta-D-glucoside)
3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoic acid

metacyc.compound:CPD-10318
metacycM:CPD-10318
JXWAQRJFONLTSI-ASDZUOGYSA-L 		apigenin 7-O-(6-malonyl-beta-D-glucoside)

keggC:M_C10020
seedM:M_cpd06910 		secondary/obsolete/fantasy identifier