Xylaric acid A (CHEBI:198895)

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CHEBI:198895 - Xylaric acid A

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ChEBI ID	CHEBI:198895
ChEBI Name	Xylaric acid A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C14H22O5
Net Charge	0
Average Mass	270.325
Monoisotopic Mass	270.14672
SMILES	CC(C)[C@H]1CC[C@](O)(CO)[C@@H]2OCC(C(=O)O)=C[C@H]12
InChI	InChI=1S/C14H22O5/c1-8(2)10-3-4-14(18,7-15)12-11(10)5-9(6-19-12)13(16)17/h5,8,10-12,15,18H,3-4,6-7H2,1-2H3,(H,16,17)/t10-,11-,12-,14+/m1/s1
InChIKey	PIOOXQKLTYQUAP-BYNQJWBRSA-N

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

ChEBI Ontology

Outgoing Relation(s)
	Xylaric acid A (CHEBI:198895) is a monoterpenoid (CHEBI:25409)

IUPAC Name
(4aS,5R,8S,8aR)-8-hydroxy-8-(hydroxymethyl)-5-propan-2-yl-2,4a,5,6,7,8a-hexahydrochromene-3-carboxylic acid

Manual Xrefs	Databases
28289046	ChemSpider