RP-1551-3 (CHEBI:220934)

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CHEBI:220934 - RP-1551-3

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ChEBI ID	CHEBI:220934
ChEBI Name	RP-1551-3
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C25H27ClO5
Net Charge	0
Average Mass	442.939
Monoisotopic Mass	442.15470
SMILES	C/C=C/C(=O)[C@H]1C(=O)O[C@]2(C)C(=O)C(Cl)=C3C=C(/C=C/C(C)=C/C(C)CC)OC=C3[C@H]12
InChI	InChI=1S/C25H27ClO5/c1-6-8-19(27)20-21-18-13-30-16(10-9-15(4)11-14(3)7-2)12-17(18)22(26)23(28)25(21,5)31-24(20)29/h6,8-14,20-21H,7H2,1-5H3/b8-6+,10-9+,15-11+/t14?,20-,21-,25+/m1/s1
InChIKey	CSVQAYRULZSEOH-DPTBCMQJSA-N

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

ChEBI Ontology

Outgoing Relation(s)
	RP-1551-3 (CHEBI:220934) is a cyclohexenones (CHEBI:48953)

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

Manual Xrefs	Databases
8201960	ChemSpider