Chlorocyclinone D (CHEBI:203624)

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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	Chlorocyclinone D

ChEBI ID	CHEBI:203624

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C23H15ClO7

Net Charge

Average Mass

438.820

Monoisotopic Mass

438.05063

InChI

InChI=1S/C23H15ClO7/c1-7-4-9-5-12(25)16-17(14(9)22(30-3)18(7)24)19(26)10-6-11-13(8(2)31-23(11)29)20(27)15(10)21(16)28/h4-6,8,25,27H,1-3H3/t8-/m0/s1

InChIKey

RSSUHOCYQSARQQ-QMMMGPOBSA-N

SMILES

ClC1=C(OC)C2=C3C(=O)C4=C(C(O)=C5[C@H](C)OC(C5=C4)=O)C(C3=C(O)C=C2C=C1C)=O

Metabolite of Species	Details
Streptomyces (NCBI:txid1883)	See: PubMed

Roles Classification
Biological Role(s):	bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. (via angucycline )

ChEBI Ontology
Outgoing	Chlorocyclinone D (CHEBI:203624) is a angucycline (CHEBI:48130)

IUPAC Name

16-chloro-4,21-dihydroxy-15-methoxy-6,17-dimethyl-7-oxapentacyclo[11.8.0.03,11.05,9.014,19]henicosa-1(21),3(11),4,9,13,15,17,19-octaene-2,8,12-trione