Alternapyrone D (CHEBI:217267)

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CHEBI:217267 - Alternapyrone D

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ChEBI ID	CHEBI:217267
ChEBI Name	Alternapyrone D
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C28H44O7
Net Charge	0
Average Mass	492.653
Monoisotopic Mass	492.30870
SMILES	CCC(C)(O)CC(CO)CCCC(C=C(C)C=C(C)CC(C)c1oc(=O)c(C)c(O)c1C)C(=O)O
InChI	InChI=1S/C28H44O7/c1-8-28(7,34)15-22(16-29)10-9-11-23(26(31)32)14-18(3)12-17(2)13-19(4)25-20(5)24(30)21(6)27(33)35-25/h12,14,19,22-23,29-30,34H,8-11,13,15-16H2,1-7H3,(H,31,32)
InChIKey	KAIIOAVNKWEQTI-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Parastagonospora nodorum (ncbitaxon:13684)	-	PubMed (30226784)

ChEBI Ontology

Outgoing Relation(s)
	Alternapyrone D (CHEBI:217267) is a diterpene lactone (CHEBI:49193)

IUPAC Name
8-hydroxy-2-[6-(4-hydroxy-3,5-dimethyl-6-oxopyran-2-yl)-2,4-dimethylhepta-1,3-dienyl]-6-(hydroxymethyl)-8-methyldecanoic acid

Manual Xrefs	Databases
78444714	ChemSpider