CHEBI:222622 - Oblongolide I

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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 Oblongolide I
ChEBI ID CHEBI:222622
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H18O3
Net Charge 0
Average Mass 234.295
Monoisotopic Mass 234.12559
InChI InChI=1S/C14H18O3/c1-8-3-4-11-10(5-8)12(15)6-9-7-17-13(16)14(9,11)2/h6,8,10-11H,3-5,7H2,1-2H3/t8-,10-,11-,14-/m0/s1
InChIKey YTHVCRZNSXHBAK-AEHQLWAISA-N
SMILES O=C1C=C2[C@@](C(=O)OC2)(C)[C@@H]3[C@@H]1C[C@@H](C)CC3
Metabolite of Species Details
Phomopsisspecies (NCBI:txid1715245) See: DOI
ChEBI Ontology
Outgoing Oblongolide I (CHEBI:222622) is a naphthofuran (CHEBI:39270)
IUPAC Name
(5aS,7S,9aS,9bR)-7,9b-dimethyl-5a,6,7,8,9,9a-hexahydro-3H-benzo[g][2]benzouran-1,5-dione
Manual Xref Database
9775857 ChemSpider
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