CHEBI:205025 - Fredericamycin E

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 E
ChEBI ID CHEBI:205025
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H23NO10
Net Charge 0
Average Mass 569.522
Monoisotopic Mass 569.13220
InChI InChI=1S/C31H23NO10/c1-3-4-5-6-14-10-13-9-12-7-8-31(22(12)26(37)17(13)30(41)32-14)28(39)21-20(27(38)29(31)40)24(35)18-15(33)11-16(42-2)23(34)19(18)25(21)36/h3-6,9-11,33-37H,7-8H2,1-2H3,(H,32,41)/b4-3+,6-5+/t31-/m1/s1
InChIKey CBYHZVAGTILQJR-GSIWLMKGSA-N
SMILES O=C1NC(=CC=2C1=C(O)C3=C(CC[C@@]34C(=O)C(=O)C5=C(O)C6=C(O)C=C(C(=C6C(=C5C4=O)O)O)OC)C2)/C=C/C=C/C
Metabolite of Species Details
Streptomyces griseus (NCBI:txid1911) See: PubMed
ChEBI Ontology
Outgoing Fredericamycin E (CHEBI:205025) is a anthraquinone (CHEBI:22580)
IUPAC Name
(8R)-5',8',9,9',10'-pentahydroxy-6'-methoxy-3-[(1E,3E)-penta-1,3-dienyl]spiro[6,7-dihydro-2H-cyclopenta[g]isoquinoline-8,3'-anthracene]-1,1',2',4'-tetrone
Manual Xref Database
23314707 ChemSpider
View more database links