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estra-1(10),4-diene-2,3,17-trione

Go to external page http://purl.obolibrary.org/obo/CHEBI_87262

An o-quinone resulting from the formal oxidation of the dihydroxyphenyl moiety of 2-hydroxyestrone.

Term info

Label

estra-1(10),4-diene-2,3,17-trione

Synonyms
  • estra-1(10),4-diene-2,3,17-trione
database cross reference
Subsets

3_STAR

IUPAC NAME
estra-1(10),4-diene-2,3,17-trione [ IUPAC ]

charge

0

formula

C18H20O3

has obo namespace

chebi_ontology

has related synonym

2,3-estrogen o-quinone, 2,3-estrone o-quinone, estrone-2,3-quinone, 2,3-estrone ortho-quinone

id

CHEBI:87262

inchi

InChI=1S/C18H20O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14H,2-7H2,1H3/t11-,12+,14-,18-/m0/s1

inchikey

WFPLOQDPWXNOST-JPVZDGGYSA-N

mass

284.34960

monoisotopicmass

284.14124

smiles

C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C(=O)C=C34)[C@@H]1CCC2=O