CHEBI:221097 - Anti-12-hydroxypretenellin 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 Anti-12-hydroxypretenellin A
ChEBI ID CHEBI:221097
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H25NO5
Net Charge 0
Average Mass 371.433
Monoisotopic Mass 371.17327
InChI InChI=1S/C21H25NO5/c1-12(10-13(2)14(3)23)4-9-18(25)19-20(26)17(22-21(19)27)11-15-5-7-16(24)8-6-15/h4-10,13-14,17,23-25H,11H2,1-3H3,(H,22,27)/b9-4+,12-10+,19-18?/t13-,14+,17-/m0/s1
InChIKey PJJOESIMAAZBQS-HOZBOIJISA-N
SMILES O=C1N[C@@H](CC2=CC=C(O)C=C2)C(C1=C(O)/C=C/C(=C/[C@@H]([C@H](O)C)C)/C)=O
Metabolite of Species Details
Beauveria (NCBI:txid5581) See: PubMed
ChEBI Ontology
Outgoing Anti-12-hydroxypretenellin A (CHEBI:221097) is a phenols (CHEBI:33853)
IUPAC Name
(5S)-3-[(2E,4E,6S,7R)-1,7-dihydroxy-4,6-dimethylocta-2,4-dienylidene]-5-[(4-hydroxyphenyl)methyl]pyrrolidine-2,4-dione
Manual Xref Database
78440411 ChemSpider
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