CHEBI:166544 - Adrenochrome

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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 Adrenochrome
ChEBI ID CHEBI:166544
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C9H9NO3
Net Charge 0
Average Mass 179.175
Monoisotopic Mass 179.05824
InChI InChI=1S/C9H9NO3/c1-10-4-9(13)5-2-7(11)8(12)3-6(5)10/h2-3,9,13H,4H2,1H3
InChIKey RPHLQSHHTJORHI-UHFFFAOYSA-N
SMILES OC1CN(C=2C1=CC(=O)C(=O)C2)C
ChEBI Ontology
Outgoing Adrenochrome (CHEBI:166544) is a indoles (CHEBI:24828)
IUPAC Name
3-hydroxy-1-methyl-2,3-dihydroindole-5,6-dione
Manual Xrefs Databases
5687 ChemSpider
HMDB0012884 HMDB
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Registry Number Type Source
54-06-8 CAS Registry Number ChemIDplus