(E)-6-(4′-hydroxy-2′-butenoyl)-strobilactone A (CHEBI:199330)

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CHEBI:199330 - (E)-6-(4′-hydroxy-2′-butenoyl)-strobilactone A

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ChEBI ID	CHEBI:199330
ChEBI Name	(E)-6-(4′-hydroxy-2′-butenoyl)-strobilactone A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C19H26O6
Net Charge	0
Average Mass	350.411
Monoisotopic Mass	350.17294
SMILES	CC1(C)CCC[C@@]2(C)[C@H]1[C@H](OC(=O)/C=C/CO)C=C1COC(=O)[C@@]12O
InChI	InChI=1S/C19H26O6/c1-17(2)7-5-8-18(3)15(17)13(25-14(21)6-4-9-20)10-12-11-24-16(22)19(12,18)23/h4,6,10,13,15,20,23H,5,7-9,11H2,1-3H3/b6-4+/t13-,15+,18+,19+/m1/s1
InChIKey	TYGNEFQVDBQZSZ-DBPGAUQVSA-N

Species of Metabolite	Component	Source	Comments
Aspergillus insuetus (ncbitaxon:469274)	-	PubMed (21676619)

ChEBI Ontology

Outgoing Relation(s)
	(E)-6-(4′-hydroxy-2′-butenoyl)-strobilactone A (CHEBI:199330) is a naphthofuran (CHEBI:39270)

IUPAC Name
[(5R,5aS,9aS,9bS)-9b-hydroxy-6,6,9a-trimethyl-1-oxo-3,5,5a,7,8,9-hexahydrobenzo[e][2]benzouran-5-yl] (E)-4-hydroxybut-2-enoate

Manual Xrefs	Databases
27025763	ChemSpider