CHEBI:210097 - Fredericamycin C2

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Fredericamycin C2
ChEBI ID CHEBI:210097
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H20O11
Net Charge 0
Average Mass 520.446
Monoisotopic Mass 520.10056
InChI InChI=1S/C27H20O11/c1-8(28)5-10-6-9-3-4-11-16(14(9)23(32)15(10)27(36)37)24(33)20-19(21(11)30)25(34)17-12(29)7-13(38-2)22(31)18(17)26(20)35/h6-7,29-33H,3-5H2,1-2H3,(H,36,37)
InChIKey UGHQOOSSORTPDY-UHFFFAOYSA-N
SMILES O=C1C2=C(O)C=3C4=C(O)C(=C(CC(=O)C)C=C4CCC3C(=C2C(=O)C=5C1=C(O)C(OC)=CC5O)O)C(=O)O
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Fredericamycin C2 (CHEBI:210097) is a quinone (CHEBI:36141)
Fredericamycin C2 (CHEBI:210097) is a tetracenes (CHEBI:51270)
IUPAC Name
1,7,9,12,14-pentahydroxy-11-methoxy-8,13-dioxo-3-(2-oxopropyl)-5,6-dihydrobenzo[a]tetracene-2-carboxylic acid