RP-1551-4 (CHEBI:220926)

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CHEBI:220926 - RP-1551-4

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ChEBI ID	CHEBI:220926
ChEBI Name	RP-1551-4
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)[C@@]3(C)OC(=O)[C@H](C(=O)CC(C)O)[C@H]3C2=CO1
InChI	InChI=1S/C25H29ClO6/c1-6-13(2)9-14(3)7-8-16-11-17-18(12-31-16)21-20(19(28)10-15(4)27)24(30)32-25(21,5)23(29)22(17)26/h7-9,11-13,15,20-21,27H,6,10H2,1-5H3/b8-7+,14-9+/t13?,15?,20-,21-,25+/m1/s1
InChIKey	GZKZGQBQFWIDTD-WVRAITJISA-N

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

ChEBI Ontology

Outgoing Relation(s)
	RP-1551-4 (CHEBI:220926) is a cyclohexenones (CHEBI:48953)

IUPAC Name
(6aS,9S,9aS)-5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-9-(3-hydroxybutanoyl)-6a-methyl-9,9a-dihydrouro[2,3-h]isochromene-6,8-dione

Manual Xrefs	Databases
78442879	ChemSpider