Palmarumycin CP18 (CHEBI:213787)

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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	Palmarumycin CP18

ChEBI ID	CHEBI:213787

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H14O5

Net Charge

Average Mass

334.327

Monoisotopic Mass

334.08412

InChI

InChI=1S/C20H14O5/c21-12-7-8-14(23)19-18(12)13(22)9-10-20(19)24-15-5-1-3-11-4-2-6-16(25-20)17(11)15/h1-8,13,22H,9-10H2/t13-/m0/s1

InChIKey

QRNNOWVUVIEQSM-ZDUSSCGKSA-N

SMILES

O=C1C2=C(C(=O)C=C1)[C@@H](O)CCC23OC=4C=5C(C=CC4)=CC=CC5O3

Metabolite of Species	Details
Edeniaspecies (NCBI:txid2744137)	See: PubMed

ChEBI Ontology
Outgoing	Palmarumycin CP18 (CHEBI:213787) is a naphthalenes (CHEBI:25477)

IUPAC Name

(5'S)-5'-hydroxyspiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,8'-6,7-dihydro-5H-naphthalene]-1',4'-dione