Macrosphelide A (CHEBI:205084)

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CHEBI:205084 - Macrosphelide A

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ChEBI ID	CHEBI:205084
ChEBI Name	Macrosphelide A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C16H22O8
Net Charge	0
Average Mass	342.344
Monoisotopic Mass	342.13147
SMILES	C[C@@H]1OC(=O)/C=C\[C@@H](O)[C@H](C)OC(=O)C[C@H](C)OC(=O)/C=C\[C@H]1O
InChI	InChI=1S/C16H22O8/c1-9-8-16(21)24-11(3)13(18)5-7-15(20)23-10(2)12(17)4-6-14(19)22-9/h4-7,9-13,17-18H,8H2,1-3H3/b6-4-,7-5-/t9-,10-,11-,12+,13+/m0/s1
InChIKey	MJMMUATWVTYSFD-MGQLGLDKSA-N

Species of Metabolite	Component	Source	Comments
Microsphaeropsis (ncbitaxon:107453)	-	PubMed (8609095)

ChEBI Ontology

Outgoing Relation(s)
	Macrosphelide A (CHEBI:205084) is a macrolide (CHEBI:25106)

IUPAC Name
(4S,7Z,9R,10S,13Z,15R,16S)-9,15-dihydroxy-4,10,16-trimethyl-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione

Manual Xrefs	Databases
31149688	ChemSpider