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cyclic dehypoxanthinylfutalosinate

Properties Image MNX_ID MNXM7216 reference chebi:64270 formula C14H13O7 global charge -1 mol weight 293.251 InChIKey BAUPPZJHTWBQAS-ZZWXXDIBSA-M InChI InChI=1S/C14H14O7/c15-9-3-4-14(11(17)10(16)13(20)21-14)8-2-1-6(12(18)19)5-7(8)9/h1-2,5,10-11,13,16-17,20H,3-4H2,(H,18,19)/p-1/t10-,11+,13?,14-/m1/s1 SMILES O=C([O-])C1=CC=C2C(=C1)C(=O)CC[C@@]21OC(O)[C@H](O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C14H14O7/c15-9-3-4-14(11(17)10(16)13(20)21-14)8-2-1-6(12(18)19)5-7(8)9/h1-2,5,10-11,13,16-17,20H,3-4H2,(H,18,19)/t10-,11+,13?,14-/m1/s1 SMILES (mnx) [CH:1]1=[CH:2][C:8]2=[C:7]([CH:5]=[C:6]1[C:12](=[O:18])[OH:19])[C:9](=[O:15])[CH2:3][CH2:4][C@:14]21[C@@H:11]([OH:17])[C@@H:10]([OH:16])[CH:13]([OH:20])[O:21]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 9 in models (compartimentalized) 5

Similar chemical compounds in external resources

Identifier	Description
CHEBI:64270 chebi:64270 BAUPPZJHTWBQAS-ZZWXXDIBSA-M	cyclic dehypoxanthinylfutalosinate (2R,3S,4R)-3,4,5-trihydroxy-4'-oxo-3',4,4',5-tetrahydro-2'H,3H-spiro[furan-2,1'-naphthalene]-6'-carboxylate cyclic dehypoxanthinylfutalosinate(1-)
CHEBI:182408 chebi:182408 BAUPPZJHTWBQAS-UJLSLHKQSA-N	(3'S,4'R)-3',4',5'-Trihydroxy-8-oxospiro[6,7-dihydronaphthalene-5,2'-oxolane]-2-carboxylic acid (3'S,4'R)-3',4',5'-trihydroxy-8-oxospiro[6,7-dihydronaphthalene-5,2'-oxolane]-2-carboxylic acid
bigg.metabolite:cdhxfut biggM:cdhxfut	Cyclic de-hypoxanthine futalosine
seed.compound:cpd17281 seedM:cpd17281 BAUPPZJHTWBQAS-ZZWXXDIBSA-M	Cyclic de-hypoxanthine futalosine Cyclic dehypoxanthine futalosine cyclic DHFL cyclic dehypoxanthine futalosine cyclic dehypoxanthinylfutalosine
kegg.compound:C17017 keggC:C17017 BAUPPZJHTWBQAS-UJLSLHKQSA-N	Cyclic dehypoxanthine futalosine
vmhM:cdhxft vmhM:cdhxft vmhmetabolite:cdhxft vmhmetabolite:cdhxft BAUPPZJHTWBQAS-ZZWXXDIBSA-M	Cyclic dehypoxanthine futalosine 4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol
metacyc.compound:CPD-11419 metacycM:CPD-11419 BAUPPZJHTWBQAS-ZZWXXDIBSA-M	cyclic dehypoxanthine futalosine cyclic DHFL cyclic dehypoxanthinylfutalosine
CHEBI:64252 chebi:64252 BAUPPZJHTWBQAS-ZZWXXDIBSA-N	cyclic dehypoxanthinylfutalosine (2R,3S,4R)-3,4,5-trihydroxy-4'-oxo-3',4,4',5-tetrahydro-2'H,3H-spiro[furan-2,1'-naphthalene]-6'-carboxylic acid Cyclic de-hypoxanthine futalosine cyclic DHFL cyclic dehypoxanthine futalosine
biggM:M_cdhxfut keggC:M_C17017 seedM:M_cpd17281 vmhM:M_cdhxft	secondary/obsolete/fantasy identifier