EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:211142 - Actinaphthoran A

ChEBI IDCHEBI:211142
ChEBI NameActinaphthoran A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H18O4
Net Charge0
Average Mass322.360
Monoisotopic Mass322.12051
SMILESCOc1cccc([C@@H]2Oc3cc(C)cc4ccc(O)c2c34)c1CO
InChIInChI=1S/C20H18O4/c1-11-8-12-6-7-15(22)19-18(12)17(9-11)24-20(19)13-4-3-5-16(23-2)14(13)10-21/h3-9,20-22H,10H2,1-2H3/t20-/m0/s1
InChIKeyMNQUGJZAOLYNEU-FQEVSTJZSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - DOI (10.1039/c9qo01154d)
ChEBI Ontology
Outgoing Relation(s)
Actinaphthoran A (CHEBI:211142) is a benzofurans (CHEBI:35259)
IUPAC Name 
(3S)-3-[2-(hydroxymethyl)-3-methoxyphenyl]-10-methyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-5-ol
Manual XrefsDatabases
81363696ChemSpider