Preubetailide F (CHEBI:207505)

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CHEBI:207505 - Preubetailide F

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ChEBI ID	CHEBI:207505
ChEBI Name	Preubetailide F
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C26H34O4
Net Charge	0
Average Mass	410.554
Monoisotopic Mass	410.24571
SMILES	COC(=O)/C=C/C(C)=C/C(C)=C/[C@H]1C(CC(C)=O)=C(C)C=C2C[C@@H](C)C(=O)[C@@H](C)[C@@H]21
InChI	InChI=1S/C26H34O4/c1-15(8-9-24(28)30-7)10-16(2)11-23-22(14-19(5)27)17(3)12-21-13-18(4)26(29)20(6)25(21)23/h8-12,18,20,23,25H,13-14H2,1-7H3/b9-8+,15-10+,16-11+/t18-,20+,23+,25+/m1/s1
InChIKey	NPDRLDWBYQKWPG-GZYVUVHISA-N

Species of Metabolite	Component	Source	Comments
Preussia similis (ncbitaxon:269685)	-	PubMed (28398049)

ChEBI Ontology

Outgoing Relation(s)
	Preubetailide F (CHEBI:207505) is a monoterpenoid (CHEBI:25409)

IUPAC Name
methyl (2E,4E,6E)-7-[(1R,6R,8S,8aS)-3,6,8-trimethyl-7-oxo-2-(2-oxopropyl)-5,6,8,8a-tetrahydro-1H-naphthalen-1-yl]-4,6-dimethylhepta-2,4,6-trienoate

Manual Xrefs	Databases
78438954	ChemSpider