CHEBI:226824 - JBIR-12

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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 JBIR-12
ChEBI ID CHEBI:226824
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H28O8
Net Charge 0
Average Mass 444.480
Monoisotopic Mass 444.17842
InChI InChI=1S/C24H28O8/c1-5-14(2)10-8-6-7-9-11-18(27)32-24(4)21(29)19-15(13-25)20(28)17(26)12-16(19)23(3,31)22(24)30/h6-12,14,25-26,28,31H,5,13H2,1-4H3/b7-6+,10-8+,11-9+
InChIKey OZDXSLAKODUUBR-WZJDGFINSA-N
SMILES O=C1C2=C(C=C(O)C(=C2CO)O)C(O)(C)C(C1(OC(=O)/C=C/C=C/C=C/C(CC)C)C)=O
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing JBIR-12 (CHEBI:226824) is a naphthoquinone (CHEBI:25481)
IUPAC Name
[4,6,7-trihydroxy-8-(hydroxymethyl)-2,4-dimethyl-1,3-dioxonaphthalen-2-yl] (2E,4E,6E)-8-methyldeca-2,4,6-trienoate
Manual Xref Database
28286258 ChemSpider
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