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a phenolic steroid 3-O-sulfate

Properties

Image

Occurences in reactions

MNX_ID

MNXM7787

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₁₈H₂₃O₄S

charge

-1

mass

335.13225

reference

InChIKey

KFFRVXQLZSOXIX-UHFFFAOYSA-M

InChI

InChI=1S/C18H24O4S/c1-18-9-2-3-17(18)16-6-4-12-11-13(22-23(19,20)21)5-7-14(12)15(16)8-10-18/h5,7,11,15-17H,2-4,6,8-10H2,1H3,(H,19,20,21)/p-1

SMILES

CC12CCCC1C1CCc3cc(OS(=O)(=O)[O-])ccc3C1CC2

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:177918 chebi:177918	a phenolic steroid 3-O-sulfate phenolic steroid 3-O-sulfate(1-)
kegg.compound:C02590 keggC:C02590	Steroid O-sulfate Phenolic steroid O-sulfate
seed.compound:cpd01692 seedM:cpd01692	Steroid O-sulfate Phenolic steroid O-sulfate phenolic steroid O-sulfate steroid O sulfate
metacyc.compound:STEROID-O-SULFATE metacycM:STEROID-O-SULFATE	a steroid sulfate
CHEBI:16158 chebi:16158	steroid sulfate Phenolic steroid O-sulfate Steroid O-sulfate steroid O-sulfates steroid sulfates
chebi:15110 chebi:26760 chebi:9264 keggC:M_C02590 seedM:M_cpd01692	secondary/obsolete/fantasy identifier