CHEBI:174035 - 17beta-Estradiol-3,4-quinone

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 17beta-Estradiol-3,4-quinone
ChEBI ID CHEBI:174035
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H22O3
Net Charge 0
Average Mass 286.371
Monoisotopic Mass 286.15689
InChI InChI=1S/C18H22O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,16,20H,2-3,5,7-9H2,1H3/t11-,12-,14+,16-,18-/m0/s1
InChIKey XVPUMLOTNZVTSL-BLNOFITASA-N
SMILES O[C@@H]1[C@@]2([C@@]([C@@]3([C@@](CC2)(C4=C(CC3)C(=O)C(=O)C=C4)[H])[H])(CC1)[H])C
ChEBI Ontology
Outgoing 17beta-Estradiol-3,4-quinone (CHEBI:174035) is a oxo steroid (CHEBI:35789)
IUPAC Name
(8S,9R,13S,14R,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,4-dione
Manual Xrefs Databases
30778529 ChemSpider
HMDB0060085 HMDB
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