Eurotirumin (CHEBI:209604)

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CHEBI:209604 - Eurotirumin

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ChEBI ID	CHEBI:209604
ChEBI Name	Eurotirumin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C19H24O4
Net Charge	0
Average Mass	316.397
Monoisotopic Mass	316.16746
SMILES	CC(C)=CCc1cc2c(c(C=O)c1O)[C@@H]1[C@H](CC[C@@H]1O)[C@@H](C)O2
InChI	InChI=1S/C19H24O4/c1-10(2)4-5-12-8-16-18(14(9-20)19(12)22)17-13(11(3)23-16)6-7-15(17)21/h4,8-9,11,13,15,17,21-22H,5-7H2,1-3H3/t11-,13-,15+,17-/m1/s1
InChIKey	NOJCJDSWLUPBPG-JSHWQEIDSA-N

Species of Metabolite	Component	Source	Comments
Aspergillus ruber (ncbitaxon:396024)	-	PubMed (18758101)

ChEBI Ontology

Outgoing Relation(s)
	Eurotirumin (CHEBI:209604) is a 1-benzopyran (CHEBI:38443)

IUPAC Name
(1S,3aS,4R,9bS)-1,8-dihydroxy-4-methyl-7-(3-methylbut-2-enyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromene-9-carbaldehyde

Manual Xrefs	Databases
28285601	ChemSpider