12'-hydroxy gymnastatin N (CHEBI:207837)

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CHEBI:207837 - 12'-hydroxy gymnastatin N

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ChEBI ID	CHEBI:207837
ChEBI Name	12'-hydroxy gymnastatin N
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C23H33NO5
Net Charge	0
Average Mass	403.519
Monoisotopic Mass	403.23587
SMILES	CC(/C=C/C(=O)NC(Cc1ccc(O)cc1)C(=O)O)=C\C(C)CCCCCCO
InChI	InChI=1S/C23H33NO5/c1-17(7-5-3-4-6-14-25)15-18(2)8-13-22(27)24-21(23(28)29)16-19-9-11-20(26)12-10-19/h8-13,15,17,21,25-26H,3-7,14,16H2,1-2H3,(H,24,27)(H,28,29)/b13-8+,18-15+
InChIKey	ZQYJKIOOBBBACO-JSVSDUBLSA-N

Species of Metabolite	Component	Source	Comments
Arachniotus (ncbitaxon:166106)	-	DOI (10.1016/j.tet.2004.09.046)

ChEBI Ontology

Outgoing Relation(s)
	12'-hydroxy gymnastatin N (CHEBI:207837) is a tyrosine derivative (CHEBI:62761)

IUPAC Name
2-[[(2E,4E)-12-hydroxy-4,6-dimethyldodeca-2,4-dienoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Manual Xrefs	Databases
10480544	ChemSpider