12,13-hydro-12-methoxymacrosphelide B (CHEBI:199660)

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CHEBI:199660 - 12,13-hydro-12-methoxymacrosphelide B

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ChEBI ID	CHEBI:199660
ChEBI Name	12,13-hydro-12-methoxymacrosphelide B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C17H24O9
Net Charge	0
Average Mass	372.370
Monoisotopic Mass	372.14203
SMILES	CO[C@H]1CC(=O)[C@H](C)OC(=O)C[C@H](C)OC(=O)/C=C\[C@@H](O)[C@H](C)OC1=O
InChI	InChI=1S/C17H24O9/c1-9-7-16(21)25-11(3)13(19)8-14(23-4)17(22)26-10(2)12(18)5-6-15(20)24-9/h5-6,9-12,14,18H,7-8H2,1-4H3/b6-5-/t9-,10-,11-,12+,14-/m0/s1
InChIKey	YDSGABQYSNZCFX-VHVRCCSZSA-N

Species of Metabolite	Component	Source	Comments
Microsphaeropsis (ncbitaxon:107453)	-	PubMed (10480575)

ChEBI Ontology

Outgoing Relation(s)
	12,13-hydro-12-methoxymacrosphelide B (CHEBI:199660) is a macrolide (CHEBI:25106)

IUPAC Name
(4S,7Z,9R,10S,13S,16S)-9-hydroxy-13-methoxy-4,10,16-trimethyl-1,5,11-trioxacyclohexadec-7-ene-2,6,12,15-tetrone

Manual Xrefs	Databases
78436526	ChemSpider