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CHEBI:200422 - Fredericamycin B

ChEBI IDCHEBI:200422
ChEBI NameFredericamycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H23NO9
Net Charge0
Average Mass553.523
Monoisotopic Mass553.13728
SMILESC/C=C/C=C/c1cc2cc3c(c(O)c2c(=O)n1)-c1c(O)c2c(c(O)c1CC3)C(=O)c1c(O)c(OC)cc(O)c1C2=O
InChIInChI=1S/C31H23NO9/c1-3-4-5-6-14-10-13-9-12-7-8-15-20(18(12)27(36)19(13)31(40)32-14)28(37)24-23(25(15)34)30(39)22-21(29(24)38)16(33)11-17(41-2)26(22)35/h3-6,9-11,33-37H,7-8H2,1-2H3,(H,32,40)/b4-3+,6-5+
InChIKeyYNIOLMWTOALCPA-VNKDHWASSA-N
Species of MetaboliteComponentSourceComments
Streptomyces griseus (ncbitaxon:1911) - PubMed (15745120)
ChEBI Ontology
Outgoing Relation(s)
Fredericamycin B (CHEBI:200422) is a quinone (CHEBI:36141)
Fredericamycin B (CHEBI:200422) is a tetracenes (CHEBI:51270)
IUPAC Name 
3,15,19,22,26-pentahydroxy-20-methoxy-7-[(1E,3E)-penta-1,3-dienyl]-6-azahexacyclo[12.12.0.02,11.04,9.016,25.018,23]hexacosa-1(14),2(11),3,7,9,15,18(23),19,21,25-decaene-5,17,24-trione
Manual XrefsDatabases
9343971ChemSpider