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CHEBI:197955 - Panepophenanthrin

ChEBI IDCHEBI:197955
ChEBI NamePanepophenanthrin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H28O8
Net Charge0
Average Mass420.458
Monoisotopic Mass420.17842
SMILESCC(C)(O)/C=C/[C@@]12[C@H]3[C@@H](O)[C@@H]4O[C@@H]4[C@]1(O)OC(C)(C)[C@H]2C=C1C(=O)[C@H]2O[C@H]2[C@H](O)[C@H]13
InChIInChI=1S/C22H28O8/c1-19(2,26)5-6-21-9-7-8-10(13(24)16-15(28-16)12(8)23)11(21)14(25)17-18(29-17)22(21,27)30-20(9,3)4/h5-7,9-11,13-18,24-27H,1-4H3/b6-5+/t9-,10-,11-,13-,14-,15-,16+,17+,18+,21-,22+/m1/s1
InChIKeyWQBRQZUREPTGLI-ODDMXWQNSA-N
Species of MetaboliteComponentSourceComments
Panus (ncbitaxon:38807) - PubMed (12398550)
ChEBI Ontology
Outgoing Relation(s)
Panepophenanthrin (CHEBI:197955) is a naphthofuran (CHEBI:39270)
IUPAC Name 
(1S,2S,3R,4S,6S,10S,13R,14S,16S,17R,18S)-3,13,17-trihydroxy-18-[(E)-3-hydroxy-3-methylbut-1-enyl]-11,11-dimethyl-5,12,15-trioxahexacyclo[8.7.1.02,8.04,6.013,18.014,16]octadec-8-en-7-one
Manual XrefsDatabases
8607684ChemSpider