EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:217460 - Neofusnaphthoquinone A

ChEBI IDCHEBI:217460
ChEBI NameNeofusnaphthoquinone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H24O10
Net Charge0
Average Mass508.479
Monoisotopic Mass508.13695
SMILESCCc1c(OC)cc2c(c1O)C(O)=C([C@@H](C)c1c(OC)cc3c(c1O)C(=O)C=C(OC)C3=O)C(=O)C2=O
InChIInChI=1S/C27H24O10/c1-6-11-15(35-3)7-13-21(23(11)30)26(33)19(27(34)24(13)31)10(2)18-16(36-4)8-12-20(25(18)32)14(28)9-17(37-5)22(12)29/h7-10,30,32-33H,6H2,1-5H3/t10-/m0/s1
InChIKeyAXEBHULHYWLJNM-JTQLQIEISA-N
Species of MetaboliteComponentSourceComments
Neofusicoccum (ncbitaxon:407951) - PubMed (29374570)
ChEBI Ontology
Outgoing Relation(s)
Neofusnaphthoquinone A (CHEBI:217460) is a naphthoquinone (CHEBI:25481)
IUPAC Name 
6-ethyl-4,5-dihydroxy-3-[1-(1-hydroxy-3,6-dimethoxy-5,8-dioxonaphthalen-2-yl)ethyl]-7-methoxynaphthalene-1,2-dione