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griseophenone B

PropertiesImage
MNX_IDMNXM55680 Image of MNXM55680
referencechebi:193066
formulaC16H13ClO6
global charge-2
mol weight336.727
InChIKeyDSJPUSRRLBBBAS-UHFFFAOYSA-L
InChIInChI=1S/C16H15ClO6/c1-7-4-8(18)5-10(22-2)12(7)15(20)13-9(19)6-11(23-3)14(17)16(13)21/h4-6,18-19,21H,1-3H3/p-2
SMILESCOC1=CC([O-])=C(C(=O)C2=C(C)C=C(O)C=C2OC)C([O-])=C1Cl
MNX internals
InChI (mnx)InChI=1/C16H15ClO6/c1-7-4-8(18)5-10(22-2)12(7)15(20)13-9(19)6-11(23-3)14(17)16(13)21/h4-6,18-19,21H,1-3H3 Image of MNXM55680
SMILES (mnx)[CH3:1][C:7]1=[CH:4][C:8]([OH:18])=[CH:5][C:10]([O:22][CH3:2])=[C:12]1[C:15]([C:13]1=[C:16]([OH:21])[C:14]([Cl:17])=[C:11]([O:23][CH3:3])[CH:6]=[C:9]1[OH:19])=[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:193066
chebi:193066
DSJPUSRRLBBBAS-UHFFFAOYSA-L
griseophenone B
griseophenone B(2-)

CHEBI:81998
chebi:81998
kegg.compound:C18837
keggC:C18837
DSJPUSRRLBBBAS-UHFFFAOYSA-N
Griseophenone B

seed.compound:cpd20098
seedM:cpd20098
DSJPUSRRLBBBAS-UHFFFAOYSA-M
Griseophenone B
griseophenone B

metacyc.compound:CPD-17789
metacycM:CPD-17789
DSJPUSRRLBBBAS-UHFFFAOYSA-N
griseophenone B

keggC:M_C18837
seedM:M_cpd20098
secondary/obsolete/fantasy identifier