CHEBI:198686 - Kapurimycin A3

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ChEBI Name Kapurimycin A3
ChEBI ID CHEBI:198686
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H24O9
Net Charge 0
Average Mass 492.480
Monoisotopic Mass 492.14203
InChI InChI=1S/C27H24O9/c1-4-5-19-27(3,36-19)20-11-17(30)22-14(10-21(31)32)8-13-9-15-18(34-12(2)28)7-6-16(29)24(15)25(33)23(13)26(22)35-20/h4-5,8-9,11,18-19,33H,6-7,10H2,1-3H3,(H,31,32)
InChIKey GMKMVBAGONGKOV-UHFFFAOYSA-N
SMILES O=C1C2=C(OC(=C1)C3(OC3C=CC)C)C4=C(O)C5=C(C(OC(=O)C)CCC5=O)C=C4C=C2CC(=O)O
Metabolite of Species Details
Streptomycesspecies (NCBI:txid1931) See: PubMed
ChEBI Ontology
Outgoing Kapurimycin A3 (CHEBI:198686) is a organic heterotricyclic compound (CHEBI:26979)
Kapurimycin A3 (CHEBI:198686) is a organooxygen compound (CHEBI:36963)
IUPAC Name
2-[8-acetyloxy-12-hydroxy-2-(2-methyl-3-prop-1-enyloxiran-2-yl)-4,11-dioxo-9,10-dihydro-8H-naphtho[2,3-h]chromen-5-yl]acetic acid