Yanuthone A (CHEBI:213464)

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CHEBI:213464 - Yanuthone A

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ChEBI ID	CHEBI:213464
ChEBI Name	Yanuthone A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C24H34O5
Net Charge	0
Average Mass	402.531
Monoisotopic Mass	402.24062
SMILES	CC(=O)OCC1=CC(=O)C2(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)O[C@@H]2[C@@H]1O
InChI	InChI=1S/C24H34O5/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-24-21(26)14-20(15-28-19(5)25)22(27)23(24)29-24/h8,10,12,14,22-23,27H,6-7,9,11,13,15H2,1-5H3/b17-10+,18-12+/t22-,23-,24?/m1/s1
InChIKey	RENHHCMPSDDNOZ-XDLWMWEFSA-N

Species of Metabolite	Component	Source	Comments
Aspergillus niger (ncbitaxon:5061)	-	PubMed (11031048)

ChEBI Ontology

Outgoing Relation(s)
	Yanuthone A (CHEBI:213464) is a diterpenoid (CHEBI:23849)

IUPAC Name
[(1R,2R)-2-hydroxy-5-oxo-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-7-oxabicyclo[4.1.0]hept-3-en-3-yl]methyl acetate

Manual Xrefs	Databases
78440255	ChemSpider