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CHEBI:211213 - Phaeosphenone

ChEBI IDCHEBI:211213
ChEBI NamePhaeosphenone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H26O10
Net Charge0
Average Mass546.528
Monoisotopic Mass546.15260
SMILESCc1cc(O)c2c(c1)C(=O)c1c(cc(C)c([C@@H]3C[C@H](O)C4=C(C(=O)C5=C(C4=O)[C@H](O)CC[C@H]5O)[C@@H]3O)c1O)C2=O
InChIInChI=1S/C30H26O10/c1-9-5-11-19(16(33)6-9)25(35)12-7-10(2)18(28(38)20(12)26(11)36)13-8-17(34)23-24(27(13)37)30(40)22-15(32)4-3-14(31)21(22)29(23)39/h5-7,13-15,17,27,31-34,37-38H,3-4,8H2,1-2H3/t13-,14+,15+,17-,27+/m0/s1
InChIKeyLOFFATGNDCRNKI-MRLCLDEBSA-N
Species of MetaboliteComponentSourceComments
Phaeosphaeriaspecies (ncbitaxon:1715242) - PubMed (18570471)
ChEBI Ontology
Outgoing Relation(s)
Phaeosphenone (CHEBI:211213) is a anthraquinone (CHEBI:22580)
IUPAC Name 
1,5-dihydroxy-3,7-dimethyl-2-[(1R,2S,4S,5R,8R)-1,4,5,8-tetrahydroxy-9,10-dioxo-1,2,3,4,5,6,7,8-octahydroanthracen-2-yl]anthracene-9,10-dione
Manual XrefsDatabases
78440471ChemSpider