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CHEBI:199839 - 7-Demethyl SF2415A3

ChEBI IDCHEBI:199839
ChEBI Name7-Demethyl SF2415A3
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H32ClN2O5
Net Charge+1
Average Mass488.004
Monoisotopic Mass487.19943
SMILESCC(C)=CCC/C(C)=C/C[C@@]12OC(C)(C)[C@H](Cl)C[C@]1(C)C(=O)C1=C(C2=O)C(=[N+]=N)C(O)=CC1=O
InChIInChI=1S/C26H31ClN2O5/c1-14(2)8-7-9-15(3)10-11-26-23(33)20-19(16(30)12-17(31)21(20)29-28)22(32)25(26,6)13-18(27)24(4,5)34-26/h8,10,12,18,28H,7,9,11,13H2,1-6H3/p+1/b15-10+/t18-,25-,26+/m1/s1
InChIKeyWYRLRXDPQOVTJK-WCWOFJFHSA-O
Species of MetaboliteComponentSourceComments
Streptomyces antimycoticus (ncbitaxon:68175) - PubMed (18271555)
ChEBI Ontology
Outgoing Relation(s)
7-Demethyl SF2415A3 (CHEBI:199839) is a organic heterotricyclic compound (CHEBI:26979)
7-Demethyl SF2415A3 (CHEBI:199839) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[(3R,4aS,10aR)-3-chloro-10a-[(2E)-3,7-dimethylocta-2,6-dienyl]-8-hydroxy-2,2,4a-trimethyl-5,6,10-trioxo-3,4-dihydrobenzo[g]chromen-9-ylidene]-iminoazanium
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78443789ChemSpider