CHEBI:226151 - Naphthacemycin A2

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 Naphthacemycin A2
ChEBI ID CHEBI:226151
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H21ClO8
Net Charge 0
Average Mass 520.920
Monoisotopic Mass 520.09250
InChI InChI=1S/C28H21ClO8/c1-10-5-17(33)23(29)27(37-4)18(10)13-6-11(30)7-14-19(13)25(35)21-22(24(14)34)28(2,3)15-8-12(31)9-16(32)20(15)26(21)36/h5-9,30-33H,1-4H3
InChIKey WVMBTPKXMDHGQX-UHFFFAOYSA-N
SMILES ClC1=C(OC)C(C2=C3C(=O)C=4C(=O)C5=C(O)C=C(O)C=C5C(C4C(C3=CC(=C2)O)=O)(C)C)=C(C)C=C1O
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Naphthacemycin A2 (CHEBI:226151) is a quinone (CHEBI:36141)
Naphthacemycin A2 (CHEBI:226151) is a tetracenes (CHEBI:51270)
IUPAC Name
7-(3-chloro-4-hydroxy-2-methoxy-6-methylphenyl)-2,4,9-trihydroxy-12,12-dimethyltetracene-5,6,11-trione
Manual Xref Database
78435205 ChemSpider
View more database links