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(S)-usnate

Properties

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Occurences in reactions

MNX_ID

MNXM3387

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₁₈H₁₄O₇

charge

-2

mass

342.07505

reference

InChIKey

WEYVVCKOOFYHRW-GOSISDBHSA-L

InChI

InChI=1S/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,21-23H,1-4H3/p-2/t18-/m1/s1

SMILES

CC(=O)C1=C([O-])C=C2Oc3c(C(C)=O)c(O)c(C)c([O-])c3[C@]2(C)C1=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57266 chebi:57266	(S)-usnate (-)-usnic acid(2-) (9aS)-4,8-diacetyl-3-hydroxy-2,9a-dimethyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-1,7-diolate
lipidmaps:LMPK13060002 lipidmapsM:LMPK13060002	(-)-Usnic acid
kegg.compound:C10101 keggC:C10101	(-)-Usnic acid (S)-Usnate (S)-Usnic acid
CHEBI:122 chebi:122	(-)-usnic acid (-)-Usnic acid (9bS)-2,6-diacetyl-3,7,9-trihydroxy-8,9b-dimethyldibenzo[b,d]furan-1(9bH)-one (S)-Usnic acid (S)-usnate
seed.compound:cpd06990 seedM:cpd06990	(S)-usnate (-)-Usnic acid (S)-Usnate (S)-Usnic acid usnein usniacin usnic acid usninsaeure usno
metacyc.compound:CPD-7411 metacycM:CPD-7411	(S)-usnate usnein usniacin usnic acid usninsaeure usno
keggC:M_C10101 seedM:M_cpd06990	secondary/obsolete/fantasy identifier