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CHEBI:199682 - Penicillanthranin A

ChEBI IDCHEBI:199682
ChEBI NamePenicillanthranin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H24O10
Net Charge0
Average Mass520.490
Monoisotopic Mass520.13695
SMILESCc1cc(O)c2c(c1)C(=O)c1cc(O)c([C@H]3O[C@H](C)[C@@H](C)c4c(C)c(O)c(C(=O)O)c(O)c43)c(O)c1C2=O
InChIInChI=1S/C28H24O10/c1-8-5-12-17(14(29)6-8)24(33)18-13(23(12)32)7-15(30)19(25(18)34)27-20-16(9(2)11(4)38-27)10(3)22(31)21(26(20)35)28(36)37/h5-7,9,11,27,29-31,34-35H,1-4H3,(H,36,37)/t9-,11-,27-/m1/s1
InChIKeyRZXUUFGBJCAYSU-MLYWIKPFSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/j.tet.2012.07.060)
ChEBI Ontology
Outgoing Relation(s)
Penicillanthranin A (CHEBI:199682) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
(1S,3R,4S)-6,8-dihydroxy-3,4,5-trimethyl-1-(1,3,8-trihydroxy-6-methyl-9,10-dioxoanthracen-2-yl)-3,4-dihydro-1H-isochromene-7-carboxylic acid
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