EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:226125 - Naphthacemycin B1

ChEBI IDCHEBI:226125
ChEBI NameNaphthacemycin B1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H22O7
Net Charge0
Average Mass458.466
Monoisotopic Mass458.13655
SMILESCc1cc(O)cc(O)c1-c1cc(O)cc2cc3c(c(O)c12)C(=O)c1c(O)cc(O)cc1C3(C)C
InChIInChI=1S/C27H22O7/c1-11-4-13(28)9-19(31)21(11)16-7-14(29)5-12-6-17-24(25(33)22(12)16)26(34)23-18(27(17,2)3)8-15(30)10-20(23)32/h4-10,28-33H,1-3H3
InChIKeyDLAKGGJLSUWFHF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (28293036)
ChEBI Ontology
Outgoing Relation(s)
Naphthacemycin B1 (CHEBI:226125) is a tetracenes (CHEBI:51270)
IUPAC Name 
7-(2,4-dihydroxy-6-methylphenyl)-2,4,6,9-tetrahydroxy-12,12-dimethyltetracen-5-one
Manual XrefsDatabases
78435200ChemSpider