CHEBI:168909 - Retrofractamide 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 Retrofractamide A
ChEBI ID CHEBI:168909
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H25NO3
Net Charge 0
Average Mass 327.424
Monoisotopic Mass 327.18344
InChI InChI=1S/C20H25NO3/c1-16(2)14-21-20(22)10-8-6-4-3-5-7-9-17-11-12-18-19(13-17)24-15-23-18/h4,6-13,16H,3,5,14-15H2,1-2H3,(H,21,22)/b6-4+,9-7+,10-8+
InChIKey BPSWISYORIWKCT-FCGWLDPVSA-N
SMILES O1C2=C(OC1)C=CC(=C2)/C=C/CC\C=C\C=C\C(=O)NCC(C)C
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing Retrofractamide A (CHEBI:168909) is a benzodioxoles (CHEBI:38298)
IUPAC Name
(2E,4E,8E)-9-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)nona-2,4,8-trienamide
Manual Xrefs Databases
9188045 ChemSpider
HMDB0033447 HMDB
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