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7,8-didemethyl-8-hydroxy-5-deazariboflavin

PropertiesImage
MNX_IDMNXM1364187 Image of MNXM1364187
referencechebi:59904
formulaC16H16N3O7
global charge-1
mol weight362.318
InChIKeyYUTUUCYDXGWRNU-XQQFMLRXSA-M
InChIInChI=1S/C16H17N3O7/c20-6-12(23)13(24)11(22)5-19-10-4-8(21)2-1-7(10)3-9-14(19)17-16(26)18-15(9)25/h1-4,11-13,20,22-24H,5-6H2,(H2,17,18,21,25,26)/p-1/t11-,12+,13-/m0/s1
SMILESO=c1nc2n(C[C@H](O)[C@H](O)[C@H](O)CO)c3cc(O)ccc3cc-2c(=O)[n-]1
MNX internals
InChI (mnx)InChI=1/C16H17N3O7/c20-6-12(23)13(24)11(22)5-19-10-4-8(21)2-1-7(10)3-9-14(19)17-16(26)18-15(9)25/h1-4,11-13,20-24H,5-6H2,(H,18,25,26)/t11-,12+,13-/m0/s1 Image of MNXM1364187
SMILES (mnx)[C:1]12=[CH:10][C:9](=[CH2:13])[CH2:14][C:11](=[CH2:12])[C:2]1=[O:26][c:4]1[c:3]([cH:5][c:8]([OH:25])[cH:7][cH:6]1)[CH:15]2[CH2:16][N:17]([N:18]([O:20]([O:22][OH:24])[OH:23])[OH:21])[NH2:19]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)8
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:59904
chebi:59904
YUTUUCYDXGWRNU-XQQFMLRXSA-M 		7,8-didemethyl-8-hydroxy-5-deazariboflavin
1-deoxy-1-(8-hydroxy-2,4-dioxo-2H-pyrimido[4,5-b]quinolin-3-id-10(4H)-yl)-D-ribitol
7,8-didemethyl-8-hydroxy-5-deazariboflavin anion
7,8-didemethyl-8-hydroxy-5-deazariboflavin(1-)
7,8-didemethyl-8-hydroxy-5-deazariboflavin-3-ide

sabiork.compound:28914
sabiorkM:28914
kegg.compound:C19154
keggC:C19154
AUEILLWDYUBWCM-XQQFMLRXSA-N 		7,8-Didemethyl-8-hydroxy-5-deazariboflavin

CHEBI:43034
chebi:43034
AUEILLWDYUBWCM-XQQFMLRXSA-N 		7,8-didemethyl-8-hydroxy-5-deazariboflavin
1-deoxy-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-D-ribitol
8-HDF
8-HYDROXY-10-(D-RIBO-2,3,4,5-TETRAHYDROXYPENTYL)-5-DEAZAISOALLOXAZINE
8-hydroxy-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione
8-hydroxy-5-deazaflavin
FO

seed.compound:cpd15839
seedM:cpd15839
AUEILLWDYUBWCM-XQQFMLRXSA-N 		7,8-didemethyl-8-hydroxy-5-deazariboflavin
7,8-Didemethyl-8-hydroxy-5-deazariboflavin
CF-I
FO
cosynthetic factor I
ddhrb

metacyc.compound:CPD-7602
metacycM:CPD-7602
YUTUUCYDXGWRNU-XQQFMLRXSA-M 		7,8-didemethyl-8-hydroxy-5-deazariboflavin
CF-I
F0 (incorrect)
FO
Fo (incorrect)
cosynthetic factor I

chebi:37430
chebi:43031
chebi:49604
keggC:M_C19154
seedM:M_cpd15839 		secondary/obsolete/fantasy identifier