CHEBI:188724 - monamphilectine 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 monamphilectine A
ChEBI ID CHEBI:188724
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H39N3O2
Net Charge 0
Average Mass 425.617
Monoisotopic Mass 425.30423
InChI InChI=1S/C26H39N3O2/c1-16-9-11-26(27-6)18(3)7-8-20-17(2)13-19(23(16)24(20)26)14-25(4,5)28-21(30)15-29-12-10-22(29)31/h17-20,23-24H,1,7-15H2,2-5H3,(H,28,30)/t17-,18-,19-,20+,23-,24-,26-/m0/s1
InChIKey XTRSXYIHSDLQAO-GZMWBSFESA-N
SMILES O=C(NC(C[C@H]1[C@]2([C@@]3([C@@]([C@H](C1)C)(CC[C@@H]([C@@]3([N+]#[C-])CCC2=C)C)[H])[H])[H])(C)C)CN4CCC4=O
Metabolite of Species Details
Phyllostachys violascens (NCBI:txid1903417) Found in stem (BTO:0001300). of strain Phyllostachys violascens cv. Viridisulcata See: MetaboLights Study
ChEBI Ontology
Outgoing monamphilectine A (CHEBI:188724) is a diterpenoid (CHEBI:23849)
IUPAC Name
N-[1-[(1S,3S,3aR,6S,6aS,9aS,9bS)-6a-isocyano-3,6-dimethyl-9-methylidene-2,3,3a,4,5,6,7,8,9a,9b-decahydro-1H-phenalen-1-yl]-2-methylpropan-2-yl]-2-(2-oxoazetidin-1-yl)acetamide
Manual Xref Database
27025424 ChemSpider
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