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patulitrin

PropertiesImageOccurences in reactions
MNX_IDMNXM68980Image of MNXM68980
#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
formulaC22H21O13
charge-1
mass493.09876
referencemetacycM:CPD-14909
InChIKeyAFCDXKGLUDDXCK-LMTLLXHESA-M
InChIInChI=1S/C22H22O13/c1-32-21-11(34-22-19(31)17(29)14(26)12(6-23)35-22)5-10-13(16(21)28)15(27)18(30)20(33-10)7-2-3-8(24)9(25)4-7/h2-5,12,14,17,19,22-26,28-31H,6H2,1H3/p-1/t12-,14-,17+,19-,22-/m1/s1
SMILESCOc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccc(O)c(O)c3)c([O-])c(=O)c2c1O
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
metacyc.compound:CPD-14909
metacycM:CPD-14909 		patulitrin
2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-6-methoxy-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside
2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
seed.compound:cpd35742
seedM:cpd35742 		2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-6-methoxy-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside
2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
patulitrin
seedM:M_cpd35742 secondary/obsolete/fantasy identifier