CHEBI:222631 - Plastatin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Plastatin
ChEBI ID CHEBI:222631
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H19NO11
Net Charge 0
Average Mass 545.456
Monoisotopic Mass 545.09581
InChI InChI=1S/C28H19NO11/c1-7-3-9-5-11-15(22(32)13(9)27(37)39-7)24(34)17(19(29)20(11)30)18-25(35)16-12(21(31)26(18)36)6-10-4-8(2)40-28(38)14(10)23(16)33/h5-8,30,32-33H,3-4,29H2,1-2H3/t7-,8-/m1/s1
InChIKey RPHPBPNMLQDDKA-HTQZYQBOSA-N
SMILES O=C1O[C@@H](CC=2C1=C(O)C=3C(=O)C(C(N)=C(C3C2)O)=C4C(=O)C(=O)C=5C=C6C[C@@H](C)OC(C6=C(C5C4=O)O)=O)C
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing Plastatin (CHEBI:222631) is a organic heterotricyclic compound (CHEBI:26979)
Plastatin (CHEBI:222631) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(3R)-8-[(3R)-7-amino-6,10-dihydroxy-3-methyl-1,9-dioxo-3,4-dihydrobenzo[g]isochromen-8-ylidene]-10-hydroxy-3-methyl-3,4-dihydrobenzo[g]isochromene-1,6,7,9-tetrone