EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:199025 - Phomopsis-H76 C

ChEBI IDCHEBI:199025
ChEBI NamePhomopsis-H76 C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H16N2O12
Net Charge0
Average Mass596.460
Monoisotopic Mass596.07032
SMILESO=c1occ(-c2ccc(O)cc2[N+](=O)[O-])c2c1C=C/C(=C\C=C1/C=Cc3c(c(-c4ccc(O)cc4[N+](=O)[O-])coc3=O)O1)O2
InChIInChI=1S/C30H16N2O12/c33-15-1-7-19(25(11-15)31(37)38)23-13-41-29(35)21-9-5-17(43-27(21)23)3-4-18-6-10-22-28(44-18)24(14-42-30(22)36)20-8-2-16(34)12-26(20)32(39)40/h1-14,33-34H/b17-3+,18-4+
InChIKeyRJHAVPXRQFPYCO-SCGPFSFSSA-N
Species of MetaboliteComponentSourceComments
Phomopsisspecies (ncbitaxon:1715245) - DOI (10.1002/ejoc.201000329)
ChEBI Ontology
Outgoing Relation(s)
Phomopsis-H76 C (CHEBI:199025) is a nitrophenol (CHEBI:25562)
IUPAC Name 
(2E)-8-(4-hydroxy-2-nitrophenyl)-2-[(2E)-2-[8-(4-hydroxy-2-nitrophenyl)-5-oxopyrano[4,3-b]pyran-2-ylidene]ethylidene]pyrano[4,3-b]pyran-5-one
Manual XrefsDatabases
27024950ChemSpider