CHEBI:225574 - Xylodonin A

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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 Xylodonin A
ChEBI ID CHEBI:225574
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H28O4
Net Charge 0
Average Mass 380.484
Monoisotopic Mass 380.19876
InChI InChI=1S/C24H28O4/c1-23(2)12-7-13-24(3)20-17(15-27-22(20)26)14-18(21(23)24)28-19(25)11-10-16-8-5-4-6-9-16/h4-6,8-11,18,21H,7,12-15H2,1-3H3/b11-10+/t18-,21-,24+/m0/s1
InChIKey GYIRVKUSWUIOGZ-BIGKGVTBSA-N
SMILES O=C1OCC2=C1[C@@]3([C@H](C(CCC3)(C)C)[C@H](C2)OC(=O)/C=C/C4=CC=CC=C4)C
Metabolite of Species Details
Xylodon flaviporus (NCBI:txid2173181) See: PubMed
ChEBI Ontology
Outgoing Xylodonin A (CHEBI:225574) is a naphthofuran (CHEBI:39270)
IUPAC Name
[(5S,5aS,9aS)-6,6,9a-trimethyl-1-oxo-4,5,5a,7,8,9-hexahydro-3H-benzo[e][2]benzouran-5-yl] (E)-3-phenylprop-2-enoate
Manual Xref Database
128437618 ChemSpider
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