Yanuthone B (CHEBI:204508)

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CHEBI:204508 - Yanuthone B

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ChEBI ID	CHEBI:204508
ChEBI Name	Yanuthone B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C24H32O5
Net Charge	0
Average Mass	400.515
Monoisotopic Mass	400.22497
SMILES	CC(=O)OCC1=CC(=O)C2(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)O[C@@H]2C1=O
InChI	InChI=1S/C24H32O5/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/h8,10,12,14,23H,6-7,9,11,13,15H2,1-5H3/b17-10+,18-12+/t23-,24?/m1/s1
InChIKey	ZNJXRPDYPGYTCI-YFQICCSESA-N

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

ChEBI Ontology

Outgoing Relation(s)
	Yanuthone B (CHEBI:204508) is a diterpenoid (CHEBI:23849)

IUPAC Name
[(1S)-2,5-dioxo-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
78440189	ChemSpider