RP-1551-5 (CHEBI:220920)

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CHEBI:220920 - RP-1551-5

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ChEBI ID	CHEBI:220920
ChEBI Name	RP-1551-5
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C25H33ClO5
Net Charge	0
Average Mass	448.987
Monoisotopic Mass	448.20165
SMILES	CCC(C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)OC(CC(C)O)(OC)C[C@H]3C2=CO1
InChI	InChI=1S/C25H33ClO5/c1-7-15(2)10-16(3)8-9-18-11-19-20(14-30-18)21-13-25(29-6,12-17(4)27)31-24(21,5)23(28)22(19)26/h8-11,14-15,17,21,27H,7,12-13H2,1-6H3/b9-8+,16-10+/t15?,17?,21-,24-,25?/m0/s1
InChIKey	BSWQHKGZQYRASI-DHJLSQDHSA-N

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

ChEBI Ontology

Outgoing Relation(s)
	RP-1551-5 (CHEBI:220920) is a ketal (CHEBI:59777)

IUPAC Name
(6aS,9aS)-5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-8-(2-hydroxypropyl)-8-methoxy-6a-methyl-9,9a-dihydrouro[2,3-h]isochromen-6-one

Manual Xrefs	Databases
8702885	ChemSpider