RP-1551-6 (CHEBI:220914)

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CHEBI:220914 - RP-1551-6

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ChEBI ID	CHEBI:220914
ChEBI Name	RP-1551-6
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C25H29ClO6
Net Charge	0
Average Mass	460.954
Monoisotopic Mass	460.16527
SMILES	CCC(C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)C3(C)OC4(O)CC(C)OC(=O)C4C3C2=CO1
InChI	InChI=1S/C25H29ClO6/c1-6-13(2)9-14(3)7-8-16-10-17-18(12-30-16)19-20-23(28)31-15(4)11-25(20,29)32-24(19,5)22(27)21(17)26/h7-10,12-13,15,19-20,29H,6,11H2,1-5H3/b8-7+,14-9+
InChIKey	ICFWHHFUXCQUBQ-HTEJKWGNSA-N

Species of Metabolite	Component	Source	Comments
Penicillium (ncbitaxon:5073)	-	PubMed (10348038)

ChEBI Ontology

Outgoing Relation(s)
	RP-1551-6 (CHEBI:220914) is a δ-lactone (CHEBI:18946)

IUPAC Name
8-chloro-5-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-12-hydroxy-10,14-dimethyl-4,11,15-trioxatetracyclo[8.7.0.02,7.012,17]heptadeca-2,5,7-triene-9,16-dione

Manual Xrefs	Databases
78444904	ChemSpider