EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:216559 - Tetramethoxyscytonemin

ChEBI IDCHEBI:216559
ChEBI NameTetramethoxyscytonemin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H34N2O8
Net Charge0
Average Mass670.718
Monoisotopic Mass670.23152
SMILESCOC(c1ccc(O)cc1)C1(OC)C(=O)/C(=C2/C(=O)C(OC)(C(OC)c3ccc(O)cc3)c3nc4ccccc4c32)c2c1nc1ccccc21
InChIInChI=1S/C40H34N2O8/c1-47-37(21-13-17-23(43)18-14-21)39(49-3)33-29(25-9-5-7-11-27(25)41-33)31(35(39)45)32-30-26-10-6-8-12-28(26)42-34(30)40(50-4,36(32)46)38(48-2)22-15-19-24(44)20-16-22/h5-20,37-38,41-44H,1-4H3/b32-31+
InChIKeyJJTLRFUXUFDNRP-QNEJGDQOSA-N
Species of MetaboliteComponentSourceComments
Cyanobacterium (ncbitaxon:102234) - PubMed (15104503)
ChEBI Ontology
Outgoing Relation(s)
Tetramethoxyscytonemin (CHEBI:216559) is a indoles (CHEBI:24828)
IUPAC Name 
(1E)-3-[(4-hydroxyphenyl)-methoxymethyl]-1-[3-[(4-hydroxyphenyl)-methoxymethyl]-3-methoxy-2-oxo-4H-cyclopenta[b]indol-1-ylidene]-3-methoxy-4H-cyclopenta[b]indol-2-one
Manual XrefsDatabases
8502601ChemSpider