RP-1551-M1 (CHEBI:220908)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:220908 - RP-1551-M1

Take structure to advanced search

ChEBI ID	CHEBI:220908
ChEBI Name	RP-1551-M1
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C26H31ClO6
Net Charge	0
Average Mass	474.981
Monoisotopic Mass	474.18092
SMILES	CCC(C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)O[C@@]4(OC)C[C@H](C)OC(=O)[C@@H]4[C@H]3C2=CO1
InChI	InChI=1S/C26H31ClO6/c1-7-14(2)10-15(3)8-9-17-11-18-19(13-31-17)20-21-24(29)32-16(4)12-26(21,30-6)33-25(20,5)23(28)22(18)27/h8-11,13-14,16,20-21H,7,12H2,1-6H3/b9-8+,15-10+/t14?,16-,20+,21-,25-,26-/m0/s1
InChIKey	WRMZZWDEIVOQIO-OFEQBVMNSA-N

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

ChEBI Ontology

Outgoing Relation(s)
	RP-1551-M1 (CHEBI:220908) is a δ-lactone (CHEBI:18946)

IUPAC Name
(1S,10S,12S,14S,17R)-8-chloro-5-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-12-methoxy-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
78442878	ChemSpider