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R-8-Hydroxywarfarin

PropertiesImage
MNX_IDMNXM814441 Image of MNXM814441
referencechebi:175133
formulaC19H16O5
global charge0
mol weight324.332
InChIKeyBHBOXPNWDGYJNB-CQSZACIVSA-N
InChIInChI=1S/C19H16O5/c1-11(20)10-14(12-6-3-2-4-7-12)16-17(22)13-8-5-9-15(21)18(13)24-19(16)23/h2-9,14,21-22H,10H2,1H3/t14-/m1/s1
SMILESCC(=O)C[C@H](c1ccccc1)c1c(O)c2cccc(O)c2oc1=O
MNX internals
InChI (mnx)InChI=1/C19H16O5/c1-11(20)10-14(12-6-3-2-4-7-12)16-17(22)13-8-5-9-15(21)18(13)24-19(16)23/h2-9,14,21-22H,10H2,1H3/t14-/m1/s1 Image of MNXM814441
SMILES (mnx)[CH3:1][C:11]([CH2:10][C@H:14]([c:12]1[cH:6][cH:3][cH:2][cH:4][cH:7]1)[c:16]1[c:17]([OH:22])[c:13]2[cH:8][cH:5][cH:9][c:15]([OH:21])[c:18]2[o:24][c:19]1=[O:23])=[O:20]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:175133
chebi:175133
BHBOXPNWDGYJNB-CQSZACIVSA-N
R-8-Hydroxywarfarin
4,8-dihydroxy-3-[(1R)-3-oxo-1-phenylbutyl]chromen-2-one

vmhM:R_8oh_warf
vmhM:R_8oh_warf
vmhmetabolite:R_8oh_warf
vmhmetabolite:R_8oh_warf
BHBOXPNWDGYJNB-CQSZACIVSA-M
R-8-Hydroxywarfarin

vmhM:M_R_8oh_warf
secondary/obsolete/fantasy identifier