Sclerodione (CHEBI:210696)

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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	Sclerodione

ChEBI ID	CHEBI:210696

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H16O5

Net Charge

Average Mass

312.321

Monoisotopic Mass

312.09977

InChI

InChI=1S/C18H16O5/c1-6-5-8(19)10-11-9(6)17-13(18(3,4)7(2)23-17)14(20)12(11)16(22)15(10)21/h5,7,19-20H,1-4H3/t7-/m0/s1

InChIKey

NHLBJUZHBDCHJJ-ZETCQYMHSA-N

SMILES

O=C1C(=O)C=2C(O)=CC(=C3C2C1=C(O)C4=C3O[C@H](C4(C)C)C)C

Metabolite of Species	Details
Gremmeniella abietina (NCBI:txid127520)	See: DOI

ChEBI Ontology
Outgoing	Sclerodione (CHEBI:210696) is a naphthofuran (CHEBI:39270)

IUPAC Name

(4S)-7,12-dihydroxy-4,5,5,14-tetramethyl-3-oxatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),7,11,13-pentaene-9,10-dione