Prejadomycin 2-carboxylate (CHEBI:197719)

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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	Prejadomycin 2-carboxylate

ChEBI ID	CHEBI:197719

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H16O7

Net Charge

Average Mass

368.341

Monoisotopic Mass

368.08960

InChI

InChI=1S/C20H16O7/c1-8-6-20(27)7-12(22)15-10(16(20)18(24)13(8)19(25)26)5-9-3-2-4-11(21)14(9)17(15)23/h2-5,16,21,23,27H,6-7H2,1H3,(H,25,26)

InChIKey

HZZQUBYOXIKCPW-UHFFFAOYSA-N

SMILES

O=C1C(=C(CC2(C1C=3C(=C(O)C4=C(O)C=CC=C4C3)C(=O)C2)O)C)C(=O)O

Metabolite of Species	Details
Streptomyces albus (NCBI:txid1888)	See: PubMed

Roles Classification
Biological Role(s):	xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means. (via phenanthrenes )

ChEBI Ontology
Outgoing	Prejadomycin 2-carboxylate (CHEBI:197719) is a phenanthrenes (CHEBI:25961)

IUPAC Name

4a,7,8-trihydroxy-3-methyl-1,6-dioxo-5,12b-dihydro-4H-benzo[a]anthracene-2-carboxylic acid