Aurachin G (CHEBI:227833)

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CHEBI:227833 - Aurachin G

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ChEBI ID	CHEBI:227833
ChEBI Name	Aurachin G
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C25H31NO3
Net Charge	0
Average Mass	393.527
Monoisotopic Mass	393.23039
SMILES	CC(C)=CCC/C(C)=C/C=C/[C@@](C)(O)[C@@H]1Cc2c(c3ccccc3[n+]([O-])c2C)O1
InChI	InChI=1S/C25H31NO3/c1-17(2)10-8-11-18(3)12-9-15-25(5,27)23-16-21-19(4)26(28)22-14-7-6-13-20(22)24(21)29-23/h6-7,9-10,12-15,23,27H,8,11,16H2,1-5H3/b15-9+,18-12+/t23-,25+/m0/s1
InChIKey	CPHALJMXKNITBL-ZFKGPQQBSA-N

Species of Metabolite	Component	Source	Comments
Stigmatella aurantiaca Sg a15 (ncbitaxon:675526)	-	PubMed (18989924)

ChEBI Ontology

Outgoing Relation(s)
	Aurachin G (CHEBI:227833) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name
(2R,3E,5E)-6,10-dimethyl-2-[(2S)-4-methyl-5-oxido-2,3-dihydrouro[3,2-c]quinolin-5-ium-2-yl]undeca-3,5,9-trien-2-ol

Manual Xrefs	Databases
78437844	ChemSpider