CHEBI:198898 - Sclerodin

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ChEBI Name Sclerodin
ChEBI ID CHEBI:198898
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H16O6
Net Charge 0
Average Mass 328.320
Monoisotopic Mass 328.09469
InChI InChI=1S/C18H16O6/c1-6-5-8(19)10-11-9(6)15-13(18(3,4)7(2)23-15)14(20)12(11)17(22)24-16(10)21/h5,7,19-20H,1-4H3/t7-/m0/s1
InChIKey TWBCJAQLHHKHDU-ZETCQYMHSA-N
SMILES O=C1OC(=O)C=2C(O)=CC(=C3C2C1=C(O)C=4C([C@H](C)OC34)(C)C)C
Metabolite of Species Details
Lophiostoma (NCBI:txid45148) See: DOI
ChEBI Ontology
Outgoing Sclerodin (CHEBI:198898) is a naphthofuran (CHEBI:39270)
IUPAC Name
(12S)-6,15-dihydroxy-8,12,13,13-tetramethyl-3,11-dioxatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14)-pentaene-2,4-dione