CHEBI:217378 - Chloronatronochrome

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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 Chloronatronochrome
ChEBI ID CHEBI:217378
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H23ClO3
Net Charge 0
Average Mass 382.880
Monoisotopic Mass 382.13357
InChI InChI=1S/C23H23ClO3/c1-19-20(17-18-21(24)23(19)26)15-13-11-9-7-5-3-4-6-8-10-12-14-16-22(25)27-2/h3-18,26H,1-2H3/b4-3+,7-5+,8-6+,11-9+,12-10+,15-13+,16-14+
InChIKey UMRDFAWGXONLRR-BKCCTOCRSA-N
SMILES ClC1=C(O)C(=C(/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)OC)C=C1)C
Metabolite of Species Details
Thioalkalivibrio (NCBI:txid106633) See: DOI
ChEBI Ontology
Outgoing Chloronatronochrome (CHEBI:217378) is a hydroxytoluene (CHEBI:24751)
IUPAC Name
methyl (2E,4E,6E,8E,10E,12E,14E)-15-(4-chloro-3-hydroxy-2-methylphenyl)pentadeca-2,4,6,8,10,12,14-heptaenoate
Manual Xref Database
78436019 ChemSpider
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