Mycinolide IV (CHEBI:213481)

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CHEBI:213481 - Mycinolide IV

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ChEBI ID	CHEBI:213481
ChEBI Name	Mycinolide IV
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C21H32O5
Net Charge	0
Average Mass	364.482
Monoisotopic Mass	364.22497
SMILES	CC[C@H]1OC(=O)/C=C/[C@H](C)[C@@H](O)[C@@H](C)C[C@@H](C)C(=O)/C=C/C=C/[C@@H]1CO
InChI	InChI=1S/C21H32O5/c1-5-19-17(13-22)8-6-7-9-18(23)15(3)12-16(4)21(25)14(2)10-11-20(24)26-19/h6-11,14-17,19,21-22,25H,5,12-13H2,1-4H3/b8-6+,9-7+,11-10+/t14-,15+,16-,17+,19+,21+/m0/s1
InChIKey	HUAKBQRUWMYNSD-SETFNFKCSA-N

Species of Metabolite	Component	Source	Comments
Micromonospora griseorubida (ncbitaxon:28040)	-	PubMed (7332707)

ChEBI Ontology

Outgoing Relation(s)
	Mycinolide IV (CHEBI:213481) is a macrolide (CHEBI:25106)

IUPAC Name
(3E,5S,6S,7S,9R,11E,13E,15R,16R)-16-ethyl-6-hydroxy-15-(hydroxymethyl)-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione