CHEBI:200234 - Isoravenelone

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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 Isoravenelone
ChEBI ID CHEBI:200234
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H22O5
Net Charge 0
Average Mass 426.468
Monoisotopic Mass 426.14672
InChI InChI=1S/C27H22O5/c1-31-26(29)23(20-15-9-4-10-16-20)22(19-13-7-3-8-14-19)24-25(28)21(32-27(24)30)17-18-11-5-2-6-12-18/h2-17,22-23,28H,1H3/b21-17+/t22-,23+/m0/s1
InChIKey DFRUUMWSIQRNGP-LUKBHGRQSA-N
SMILES O=C1O/C(=C/C2=CC=CC=C2)/C(=C1[C@@H](C3=CC=CC=C3)[C@@H](C4=CC=CC=C4)C(=O)OC)O
Metabolite of Species Details
Pulveroboletus (NCBI:txid80667) See: PubMed
ChEBI Ontology
Outgoing Isoravenelone (CHEBI:200234) is a stilbenoid (CHEBI:26776)
IUPAC Name
methyl (2S,3R)-3-[(5E)-5-benzylidene-4-hydroxy-2-oxouran-3-yl]-2,3-diphenylpropanoate
Manual Xref Database
78436595 ChemSpider
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