CHEBI:200422 - Fredericamycin B

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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 B
ChEBI ID CHEBI:200422
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H23NO9
Net Charge 0
Average Mass 553.523
Monoisotopic Mass 553.13728
InChI InChI=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+
InChIKey YNIOLMWTOALCPA-VNKDHWASSA-N
SMILES O=C1NC(=CC=2C1=C(O)C=3C4=C(O)C=5C(=O)C6=C(C(O)=C(OC)C=C6O)C(C5C(=C4CCC3C2)O)=O)/C=C/C=C/C
Metabolite of Species Details
Streptomyces griseus (NCBI:txid1911) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
9343971 ChemSpider
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