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CHEBI:222882 - Fredericamycin A

ChEBI IDCHEBI:222882
ChEBI NameFredericamycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H21NO9
Net Charge0
Average Mass539.496
Monoisotopic Mass539.12163
SMILESC/C=C/C=C/c1cc2cc3c(c(O)c2c(=O)n1)[C@@]1(CC3)C(O)=c2c(=O)c3c(=O)cc(OC)c(=O)c=3c(=O)c2=C1O
InChIInChI=1S/C30H21NO9/c1-3-4-5-6-14-10-13-9-12-7-8-30(22(12)26(36)17(13)29(39)31-14)27(37)20-21(28(30)38)25(35)19-18(24(20)34)15(32)11-16(40-2)23(19)33/h3-6,9-11,36-38H,7-8H2,1-2H3,(H,31,39)/b4-3+,6-5+/t30-/m0/s1
InChIKeyNJLAGDPRCAPJIF-MHSJTTIKSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (6798004)
ChEBI Ontology
Outgoing Relation(s)
Fredericamycin A (CHEBI:222882) is a isoquinolines (CHEBI:24922)
IUPAC Name 
(8S)-1',3',9-trihydroxy-6'-methoxy-3-[(1E,3E)-penta-1,3-dienyl]spiro[6,7-dihydro-2H-cyclopenta[g]isoquinoline-8,2'-cyclopenta[b]naphthalene]-1,4',5',8',9'-pentone
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78439808ChemSpider