CHEBI:199855 - Bischloroanthrabenzoxocinone

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 Bischloroanthrabenzoxocinone
ChEBI ID CHEBI:199855
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H24Cl2O7
Net Charge 0
Average Mass 543.390
Monoisotopic Mass 542.08991
InChI InChI=1S/C28H24Cl2O7/c1-10-6-12(35-5)8-14-15(10)26-16-11(9-28(4,36-14)37-26)7-13-17(22(16)31)23(32)18-19(27(13,2)3)20(29)25(34)21(30)24(18)33/h6-8,26,31,33-34H,9H2,1-5H3
InChIKey ZGJMIZXNGYVIRM-UHFFFAOYSA-N
SMILES ClC1=C(O)C(Cl)=C2C(C=3C=C4CC5(OC6=C(C(C4=C(C3C(C2=C1O)=O)O)O5)C(=CC(=C6)OC)C)C)(C)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Bischloroanthrabenzoxocinone (CHEBI:199855) is a organic heterotricyclic compound (CHEBI:26979)
Bischloroanthrabenzoxocinone (CHEBI:199855) is a organooxygen compound (CHEBI:36963)
IUPAC Name
8,10-dichloro-3,7,9-trihydroxy-21-methoxy-12,12,17,23-tetramethyl-18,25-dioxahexacyclo[15.7.1.02,15.04,13.06,11.019,24]pentacosa-2,4(13),6(11),7,9,14,19(24),20,22-nonaen-5-one
Manual Xref Database
9752254 ChemSpider
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