RP-1551-2 (CHEBI:220941)

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CHEBI:220941 - RP-1551-2

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ChEBI ID	CHEBI:220941
ChEBI Name	RP-1551-2
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C24H31ClO5
Net Charge	0
Average Mass	434.960
Monoisotopic Mass	434.18600
SMILES	CCC(C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)[C@@](C)(O)[C@@H](CC(=O)CC(C)O)C2=CO1
InChI	InChI=1S/C24H31ClO5/c1-6-14(2)9-15(3)7-8-18-12-19-20(13-30-18)21(11-17(27)10-16(4)26)24(5,29)23(28)22(19)25/h7-9,12-14,16,21,26,29H,6,10-11H2,1-5H3/b8-7+,15-9+/t14?,16?,21-,24-/m0/s1
InChIKey	MSBQTVXNYIKLFR-BRHPLRQUSA-N

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

ChEBI Ontology

Outgoing Relation(s)
	RP-1551-2 (CHEBI:220941) is a cyclohexenones (CHEBI:48953)

IUPAC Name
(7S,8S)-5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-7-hydroxy-8-(4-hydroxy-2-oxopentyl)-7-methyl-8H-isochromen-6-one

Manual Xrefs	Databases
8427881	ChemSpider