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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > sulfur oxoacid derivative > sulfuric acid derivative > sulfates > organic sulfate > steroid sulfate > 4-hydroxyestrone sulfate
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfuric acid derivative > sulfates > organic sulfate > steroid sulfate > 4-hydroxyestrone sulfate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > sulfur oxoacid derivative > sulfuric acid derivative > organic sulfate > steroid sulfate > 4-hydroxyestrone sulfate
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfuric acid derivative > organic sulfate > steroid sulfate > 4-hydroxyestrone sulfate
organooxygen compound > ester > sulfuric ester > steroid sulfate > 4-hydroxyestrone sulfate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > sulfur oxoacid derivative > sulfuric acid derivative > sulfuric ester > steroid sulfate > 4-hydroxyestrone sulfate
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfuric acid derivative > sulfuric ester > steroid sulfate > 4-hydroxyestrone sulfate

Preferred term

4-hydroxyestrone sulfate  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C18H22O6S

inchi

  • InChI=1S/C18H22O6S/c1-18-9-8-11-10-4-6-15(24-25(21,22)23)17(20)13(10)3-2-12(11)14(18)5-7-16(18)19/h4,6,11-12,14,20H,2-3,5,7-9H2,1H3,(H,21,22,23)/t11?,12?,14?,18-/m1/s1

inchikey

  • QIJNCQNMZUTUIF-KQWCVQSUSA-N

mass

  • 366.430

monoisotopicmass

  • 366.11371

smiles

  • S(OC1=C(O)C2=C(C3C(C4[C@@](CC3)(C(=O)CC4)C)CC2)C=C1)(O)(=O)=O

subset

  • 2_STAR

synonym EXACT

  • [(13R)-4-hydroxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] hydrogen sulate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:175692

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