CHEBI:218722 - Palmarumycin C11

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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 C11
ChEBI ID CHEBI:218722
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H14O5
Net Charge 0
Average Mass 334.327
Monoisotopic Mass 334.08412
InChI InChI=1S/C20H14O5/c21-12-7-3-6-11-16(12)17(22)18-19(23-18)20(11)24-13-8-1-4-10-5-2-9-14(25-20)15(10)13/h1-9,17-19,21-22H/t17-,18+,19+/m1/s1
InChIKey HDSAIJZBOBVWLA-QYZOEREBSA-N
SMILES O1C=2C3=C(C=CC=C3C=CC2)OC14C5=C(C(O)=CC=C5)[C@@H](O)[C@H]6[C@@H]4O6
Metabolite of Species Details
Seimatosporium (NCBI:txid162418) See: DOI
ChEBI Ontology
Outgoing Palmarumycin C11 (CHEBI:218722) is a tetralins (CHEBI:36786)
IUPAC Name
(1'aS,2'R,7'aS)-spiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,7'-2,7a-dihydro-1aH-naphtho[2,3-b]oxirene]-2',3'-diol
Manual Xref Database
78438164 ChemSpider
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