EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:224816 - (R)-3-chloro-6-hydroxy-8-methoxy-alpha-lapachone

ChEBI IDCHEBI:224816
ChEBI Name(R)-3-chloro-6-hydroxy-8-methoxy-alpha-lapachone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H15ClO5
Net Charge0
Average Mass322.744
Monoisotopic Mass322.06080
SMILESCOc1cc(O)c2c(c1)C(=O)C1=C(C[C@@H](Cl)C(C)(C)O1)C2=O
InChIInChI=1S/C16H15ClO5/c1-16(2)11(17)6-9-13(19)12-8(14(20)15(9)22-16)4-7(21-3)5-10(12)18/h4-5,11,18H,6H2,1-3H3/t11-/m1/s1
InChIKeyODBXTRLSXWKGLK-LLVKDONJSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (18271555)
ChEBI Ontology
Outgoing Relation(s)
(R)-3-chloro-6-hydroxy-8-methoxy-alpha-lapachone (CHEBI:224816) is a organic heterotricyclic compound (CHEBI:26979)
(R)-3-chloro-6-hydroxy-8-methoxy-alpha-lapachone (CHEBI:224816) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3R)-3-chloro-6-hydroxy-8-methoxy-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione
Manual XrefsDatabases
78437758ChemSpider