Daldinin E (CHEBI:227062)

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CHEBI:227062 - Daldinin E

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ChEBI ID	CHEBI:227062
ChEBI Name	Daldinin E
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C24H28O9
Net Charge	0
Average Mass	460.479
Monoisotopic Mass	460.17333
SMILES	C/C=C/C=C(\C)C(=O)O[C@@H]1C2=CC(=O)[C@](C)(OC(C)=O)C(=O)C2=CO[C@@]12O[C@@H](C)CC[C@H]2O
InChI	InChI=1S/C24H28O9/c1-6-7-8-13(2)22(29)31-21-16-11-19(27)23(5,33-15(4)25)20(28)17(16)12-30-24(21)18(26)10-9-14(3)32-24/h6-8,11-12,14,18,21,26H,9-10H2,1-5H3/b7-6+,13-8+/t14-,18+,21+,23-,24-/m0/s1
InChIKey	KEHOQOMYJLDTRB-VYIZNDCLSA-N

Species of Metabolite	Component	Source	Comments
Hypoxylon fuscum (ncbitaxon:109372)	-	PubMed (14759543)

ChEBI Ontology

Outgoing Relation(s)
	Daldinin E (CHEBI:227062) is a benzopyran (CHEBI:22727)

IUPAC Name
[(3R,3'R,4R,6'S,7S)-7-acetyloxy-3'-hydroxy-6',7-dimethyl-6,8-dioxospiro[4H-isochromene-3,2'-oxane]-4-yl] (2E,4E)-2-methylhexa-2,4-dienoate

Manual Xrefs	Databases
557040	ChemSpider