Aurachin P (CHEBI:212002)

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CHEBI:212002 - Aurachin P

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ChEBI ID	CHEBI:212002
ChEBI Name	Aurachin P
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C25H33NO4
Net Charge	0
Average Mass	411.542
Monoisotopic Mass	411.24096
SMILES	CC(C)=CCC/C(C)=C/CC[C@](C)(O)[C@@H]1Oc2c(c3ccccc3[n+]([O-])c2C)[C@@H]1O
InChI	InChI=1S/C25H33NO4/c1-16(2)10-8-11-17(3)12-9-15-25(5,28)24-22(27)21-19-13-6-7-14-20(19)26(29)18(4)23(21)30-24/h6-7,10,12-14,22,24,27-28H,8-9,11,15H2,1-5H3/b17-12+/t22-,24+,25-/m0/s1
InChIKey	MIQSPYRWRFLNMZ-KMRJWCEASA-N

Species of Metabolite	Component	Source	Comments
Stigmatella (ncbitaxon:40)	-	PubMed (18986196)

ChEBI Ontology

Outgoing Relation(s)
	Aurachin P (CHEBI:212002) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name
(1S,2R)-2-[(2S,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-4-methyl-5-oxido-1,2-dihydrouro[2,3-c]quinolin-5-ium-1-ol

Manual Xrefs	Databases
78437994	ChemSpider