Alternapyrone B (CHEBI:217255)

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CHEBI:217255 - Alternapyrone B

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ChEBI ID	CHEBI:217255
ChEBI Name	Alternapyrone B
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Submitter	MetaboLights
Downloads	Molfile

Formula	C28H42O5
Net Charge	0
Average Mass	458.639
Monoisotopic Mass	458.30322
SMILES	CCC(C)C=C(C)CCCC(C=C(C)C=C(C)CC(C)c1oc(=O)c(C)c(O)c1C)C(=O)O
InChI	InChI=1S/C28H42O5/c1-9-17(2)13-18(3)11-10-12-24(27(30)31)16-20(5)14-19(4)15-21(6)26-22(7)25(29)23(8)28(32)33-26/h13-14,16-17,21,24,29H,9-12,15H2,1-8H3,(H,30,31)
InChIKey	NBTZRFXBXREKRF-UHFFFAOYSA-N

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

ChEBI Ontology

Outgoing Relation(s)
	Alternapyrone B (CHEBI:217255) is a diterpene lactone (CHEBI:49193)

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

Manual Xrefs	Databases
78444712	ChemSpider