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CHEBI:208662 - Sanguinone B

ChEBI IDCHEBI:208662
ChEBI NameSanguinone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H16N4O3
Net Charge0
Average Mass312.329
Monoisotopic Mass312.12224
SMILESC[C@@H]1N=c2c(O)c3c4c5c2[C@H](CCN5[C@H](C(=O)O)CC=4C=N3)N1
InChIInChI=1S/C16H16N4O3/c1-6-18-8-2-3-20-9(16(22)23)4-7-5-17-12-10(7)14(20)11(8)13(19-6)15(12)21/h5-6,8-9,18,21H,2-4H2,1H3,(H,22,23)/t6-,8-,9-/m0/s1
InChIKeyKJCDJSBKHGBMGO-XVYDVKMFSA-N
Species of MetaboliteComponentSourceComments
Mycena sanguinolenta (ncbitaxon:230812) - PubMed (17658856)
ChEBI Ontology
Outgoing Relation(s)
Sanguinone B (CHEBI:208662) is a quinolines (CHEBI:26513)
IUPAC Name 
(6S,10S,12S)-18-hydroxy-12-methyl-2,7,11,13-tetrazapentacyclo[12.3.1.04,17.07,16.010,15]octadeca-1(18),2,4(17),13,15-pentaene-6-carboxylic acid
Manual XrefsDatabases
78437925ChemSpider