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CHEBI:220595 - Fredericamycin C

ChEBI IDCHEBI:220595
ChEBI NameFredericamycin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H24O11
Net Charge0
Average Mass572.522
Monoisotopic Mass572.13186
SMILESC/C=C/C=C/C(=O)Cc1cc2c(c(O)c1C(=O)O)-c1c(O)c3c(c(O)c1CC2)C(=O)c1c(O)c(OC)cc(O)c1C3=O
InChIInChI=1S/C31H24O11/c1-3-4-5-6-14(32)10-13-9-12-7-8-15-20(18(12)27(36)19(13)31(40)41)28(37)24-23(25(15)34)30(39)22-21(29(24)38)16(33)11-17(42-2)26(22)35/h3-6,9,11,33-37H,7-8,10H2,1-2H3,(H,40,41)/b4-3+,6-5+
InChIKeyLKUAAWSFMBXAPQ-VNKDHWASSA-N
Species of MetaboliteComponentSourceComments
Streptomyces griseus (ncbitaxon:1911) - PubMed (15745120)
ChEBI Ontology
Outgoing Relation(s)
Fredericamycin C (CHEBI:220595) is a quinone (CHEBI:36141)
Fredericamycin C (CHEBI:220595) is a tetracenes (CHEBI:51270)
IUPAC Name 
1,7,9,12,14-pentahydroxy-10-methoxy-8,13-dioxo-3-[(3E,5E)-2-oxohepta-3,5-dienyl]-5,6-dihydrobenzo[a]tetracene-2-carboxylic acid
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