CHEBI:199502 - Selesconol

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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 Selesconol
ChEBI ID CHEBI:199502
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H18O6
Net Charge 0
Average Mass 462.457
Monoisotopic Mass 462.11034
InChI InChI=1S/C29H18O6/c30-17-3-1-2-15-25-16-6-9-19(32)28-18(31)7-4-13(24(16)28)14-5-8-20(33)29-22(35)11-12(23(25)27(14)29)10-21(34)26(15)17/h1-9,12,23,30-31,33H,10-11H2
InChIKey CGAKGJOUWCSJFA-UHFFFAOYSA-N
SMILES O=C1C2=C(O)C=CC=C2C3=C4C5=C(C(=O)C=C4)C(O)=CC=C5C=6C=7C3C(C1)CC(=O)C7C(O)=CC6
Metabolite of Species Details
Daldinia eschscholzii IFB-TL01 (NCBI:txid1169046) See: PubMed
ChEBI Ontology
Outgoing Selesconol (CHEBI:199502) is a tetralins (CHEBI:36786)
IUPAC Name
7,14,22-trihydroxyheptacyclo[13.11.2.12,6.011,28.018,27.021,26.010,29]nonacosa-1,3,6,8,10(29),11(28),12,14,21(26),22,24-undecaene-5,16,20-trione
Manual Xref Database
78435332 ChemSpider
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