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5-hydroxyxanthotoxin

PropertiesImage
MNX_IDMNXM5557 Image of MNXM5557
referencechebi:78326
formulaC12H7O5
global charge-1
mol weight231.183
InChIKeyXPFCGZWOHNGDSP-UHFFFAOYSA-M
InChIInChI=1S/C12H8O5/c1-15-12-10-7(4-5-16-10)9(14)6-2-3-8(13)17-11(6)12/h2-5,14H,1H3/p-1
SMILESCOC1=C2OC(=O)C=CC2=C([O-])C2=C1OC=C2
MNX internals
InChI (mnx)InChI=1/C12H8O5/c1-15-12-10-7(4-5-16-10)9(14)6-2-3-8(13)17-11(6)12/h2-5,14H,1H3 Image of MNXM5557
SMILES (mnx)[CH3:1][O:15][C:12]1=[C:11]2[C:6](=[C:9]([OH:14])[C:7]3=[C:10]1[O:16][CH:5]=[CH:4]3)[CH:2]=[CH:3][C:8](=[O:13])[O:17]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)8
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:78326
chebi:78326
XPFCGZWOHNGDSP-UHFFFAOYSA-M 		5-hydroxyxanthotoxin
5-hydroxyxanthotoxin(1-)
9-methoxy-7-oxo-7H-furo[3,2-g]chromen-4-olate

kegg.compound:C02951
keggC:C02951
XPFCGZWOHNGDSP-UHFFFAOYSA-N 		5-Hydroxyxanthotoxin

vmhM:5hxthtxn
vmhmetabolite:5hxthtxn
XPFCGZWOHNGDSP-UHFFFAOYSA-N 		5-Hydroxyxanthotoxin
4',10'-dihydroxy-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-11'-yl acetate

seed.compound:cpd01893
seedM:cpd01893
XPFCGZWOHNGDSP-UHFFFAOYSA-M 		5-Hydroxyxanthotoxin
4-hydroxy-9-methoxy-7H-furo[3,2-g]chromen-7-one
5-hydroxyxanthotoxin

CHEBI:2082
chebi:2082
XPFCGZWOHNGDSP-UHFFFAOYSA-N 		5-hydroxyxanthotoxin
4-hydroxy-9-methoxy-7H-furo[3,2-g]benzopyran-7-one
4-hydroxy-9-methoxy-7H-furo[3,2-g]chromen-7-one
5-Hydroxyxanthotoxin
5-hydroxy-8-methoxypsoralen

metacyc.compound:CPD-15055
metacycM:CPD-15055
XPFCGZWOHNGDSP-UHFFFAOYSA-N 		5-hydroxyxanthotoxin
4-hydroxy-9-methoxy-7H-furo[3,2-g]chromen-7-one
5-hydroxy-8-methoxypsoralen

keggC:M_C02951
seedM:M_cpd01893
vmhM:M_5hxthtxn 		secondary/obsolete/fantasy identifier