CHEBI:222637 - Luteosporin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Luteosporin
ChEBI ID CHEBI:222637
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H18O12
Net Charge 0
Average Mass 546.440
Monoisotopic Mass 546.07983
InChI InChI=1S/C28H18O12/c1-7-3-9-5-11(29)15-17(13(9)27(37)39-7)23(33)25(35)19(21(15)31)20-22(32)16-12(30)6-10-4-8(2)40-28(38)14(10)18(16)24(34)26(20)36/h5-8,29-32H,3-4H2,1-2H3
InChIKey LRSMMSOKJBQFJZ-UHFFFAOYSA-N
SMILES O=C1OC(CC=2C1=C3C(=O)C(=O)C(C4=C(O)C5=C(C=6C(=O)OC(C)CC6C=C5O)C(C4=O)=O)=C(C3=C(O)C2)O)C
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing Luteosporin (CHEBI:222637) is a organic heterotricyclic compound (CHEBI:26979)
Luteosporin (CHEBI:222637) is a organooxygen compound (CHEBI:36963)
IUPAC Name
8-(6,7-dihydroxy-3-methyl-1,9,10-trioxo-3,4-dihydrobenzo[h]isochromen-8-yl)-6,7-dihydroxy-3-methyl-3,4-dihydrobenzo[h]isochromene-1,9,10-trione
Manual Xref Database
78436029 ChemSpider
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