Rubrumol (CHEBI:226463)

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CHEBI:226463 - Rubrumol

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ChEBI ID	CHEBI:226463
ChEBI Name	Rubrumol
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C15H18O5
Net Charge	0
Average Mass	278.304
Monoisotopic Mass	278.11542
SMILES	Cc1cc(O)c2c(c1)[C@H](O)[C@H]1CC[C@H](O)[C@@H](O)[C@@H]1C2=O
InChI	InChI=1S/C15H18O5/c1-6-4-8-11(10(17)5-6)15(20)12-7(13(8)18)2-3-9(16)14(12)19/h4-5,7,9,12-14,16-19H,2-3H2,1H3/t7-,9-,12+,13+,14+/m0/s1
InChIKey	VUITXXJJGQEQDD-RKLKDSAASA-N

Species of Metabolite	Component	Source	Comments
Aspergillus ruber (ncbitaxon:396024)	-	PubMed (29018264)

ChEBI Ontology

Outgoing Relation(s)
	Rubrumol (CHEBI:226463) is a anthracenes (CHEBI:46955)

IUPAC Name
(1S,2S,4aS,9aR,10R)-1,2,8,10-tetrahydroxy-6-methyl-2,3,4,4a,9a,10-hexahydro-1H-anthracen-9-one

Manual Xrefs	Databases
78438829	ChemSpider