CHEBI:222357 - Retipolide D

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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 Retipolide D
ChEBI ID CHEBI:222357
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H20O10
Net Charge 0
Average Mass 492.436
Monoisotopic Mass 492.10565
InChI InChI=1S/C26H20O10/c27-18-11-15-7-9-34-25(32)26(13-14-1-4-17(5-2-14)35-19(12-15)22(18)29)21(23(30)24(31)36-26)16-3-6-20(28)33-10-8-16/h1-5,8,10-12,27,29-30H,6-7,9,13H2/t26-/m1/s1
InChIKey LWWYSZLGCDJPQK-AREMUKBSSA-N
SMILES O=C1OCCC2=CC(OC3=CC=C(C[C@]14OC(=O)C(=C4C=5C=COC(CC5)=O)O)C=C3)=C(O)C(=C2)O
Metabolite of Species Details
Retiboletus (NCBI:txid889442) See: DOI
ChEBI Ontology
Outgoing Retipolide D (CHEBI:222357) is a aromatic ether (CHEBI:35618)
IUPAC Name
(12R)-3',4,5-trihydroxy-4'-(2-oxo-3H-oxepin-5-yl)spiro[2,10-dioxatricyclo[12.2.2.13,7]nonadeca-1(16),3(19),4,6,14,17-hexaene-12,5'-uran]-2',11-dione
Manual Xref Database
78437700 ChemSpider
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