CHEBI:223605 - Fredericamycin C1

ChEBI IDCHEBI:223605
ChEBI NameFredericamycin C1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H22O10
Net Charge0
Average Mass554.507
Monoisotopic Mass554.12130
SMILESC/C=C/C=C/c1cc2cc3c(c(O)c2c(=O)o1)-c1c(O)c2c(c(O)c1CC3)C(=O)c1c(O)c(OC)cc(O)c1C2=O
InChIInChI=1S/C31H22O10/c1-3-4-5-6-14-10-13-9-12-7-8-15-20(18(12)27(35)19(13)31(39)41-14)28(36)24-23(25(15)33)30(38)22-21(29(24)37)16(32)11-17(40-2)26(22)34/h3-6,9-11,32-36H,7-8H2,1-2H3/b4-3+,6-5+
InChIKeyLKKMROHYZXHINZ-VNKDHWASSA-N
Species of MetaboliteComponentSourceComments
Streptomyces griseus (ncbitaxon:1911) - PubMed (15745120)
ChEBI Ontology
Outgoing Relation(s)
Fredericamycin C1 (CHEBI:223605) is a quinone (CHEBI:36141)
Fredericamycin C1 (CHEBI:223605) is a tetracenes (CHEBI:51270)
IUPAC Name 
3,15,19,22,26-pentahydroxy-20-methoxy-7-[(1E,3E)-penta-1,3-dienyl]-6-oxahexacyclo[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
9447880ChemSpider