CHEBI:203549 - Aurachin I

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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 Aurachin I
ChEBI ID CHEBI:203549
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H35NO4
Net Charge 0
Average Mass 425.569
Monoisotopic Mass 425.25661
InChI InChI=1S/C26H35NO4/c1-17(2)11-9-12-18(3)13-10-16-26(5,28)25-24(30-6)22-19(4)27(29)21-15-8-7-14-20(21)23(22)31-25/h7-8,11,13-15,24-25,28H,9-10,12,16H2,1-6H3/b18-13+/t24-,25-,26+/m0/s1
InChIKey ZDKUJHWRZZOZQM-QJWDWVNPSA-N
SMILES O1C=2C=3C([N+]([O-])=C(C2[C@@H]([C@H]1[C@](O)(CC/C=C(/CCC=C(C)C)\C)C)OC)C)=CC=CC3
Metabolite of Species Details
Stigmatella aurantiaca Sg a15 (NCBI:txid675526) See: PubMed
ChEBI Ontology
Outgoing Aurachin I (CHEBI:203549) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
(2R,5E)-2-[(2S,3S)-3-methoxy-4-methyl-5-oxido-2,3-dihydrouro[3,2-c]quinolin-5-ium-2-yl]-6,10-dimethylundeca-5,9-dien-2-ol
Manual Xref Database
78437028 ChemSpider
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