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CHEBI:199335 - Anhydropseudophlegmacin-9,10-quinone-3'-amino-8'-O-methyl ether

ChEBI IDCHEBI:199335
ChEBI NameAnhydropseudophlegmacin-9,10-quinone-3'-amino-8'-O-methyl ether
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H21NO8
Net Charge0
Average Mass523.497
Monoisotopic Mass523.12672
SMILESCOc1cccc2c(-c3c(O)cc(O)c4c3C(=O)c3cc(C)cc(O)c3C4=O)c3c(c(O)c12)C(=O)CC(N)=C3
InChIInChI=1S/C30H21NO8/c1-11-6-15-23(16(32)7-11)30(38)26-19(35)10-18(34)25(27(26)28(15)36)21-13-4-3-5-20(39-2)24(13)29(37)22-14(21)8-12(31)9-17(22)33/h3-8,10,32,34-35,37H,9,31H2,1-2H3
InChIKeyCWCOWNCCNNIIBA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Phoma herbarum (ncbitaxon:73001) - DOI (10.1007/s10600-011-9986-1)
ChEBI Ontology
Outgoing Relation(s)
Anhydropseudophlegmacin-9,10-quinone-3'-amino-8'-O-methyl ether (CHEBI:199335) is a lignan (CHEBI:25036)
IUPAC Name 
1-(2-amino-10-hydroxy-5-methoxy-4-oxo-3H-anthracen-9-yl)-2,4,5-trihydroxy-7-methylanthracene-9,10-dione
Manual XrefsDatabases
28289164ChemSpider