Xylaric acid D (CHEBI:203682)

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CHEBI:203682 - Xylaric acid D

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ChEBI ID	CHEBI:203682
ChEBI Name	Xylaric acid D
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C15H20O5
Net Charge	0
Average Mass	280.320
Monoisotopic Mass	280.13107
SMILES	CC(C)[C@H]1CCC2=C(C(=O)OC2)[C@@H]1/C=C(\CO)C(=O)O
InChI	InChI=1S/C15H20O5/c1-8(2)11-4-3-9-7-20-15(19)13(9)12(11)5-10(6-16)14(17)18/h5,8,11-12,16H,3-4,6-7H2,1-2H3,(H,17,18)/b10-5+/t11-,12-/m1/s1
InChIKey	YWASZTJGPFRWMW-VDUSXYPOSA-N

Species of Metabolite	Component	Source	Comments
Xylariaspecies 638 (ncbitaxon:759270)	-	PubMed (21922657)

ChEBI Ontology

Outgoing Relation(s)
	Xylaric acid D (CHEBI:203682) is a terpene lactone (CHEBI:37668)

IUPAC Name
(E)-2-(hydroxymethyl)-3-[(4S,5R)-3-oxo-5-propan-2-yl-4,5,6,7-tetrahydro-1H-2-benzouran-4-yl]prop-2-enoic acid

Manual Xrefs	Databases
78440962	ChemSpider