CHEBI:188858 - (+)-scyphostatin

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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 (+)-scyphostatin
ChEBI ID CHEBI:188858
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H43NO5
Net Charge 0
Average Mass 485.665
Monoisotopic Mass 485.31412
InChI InChI=1S/C29H43NO5/c1-6-20(2)15-22(4)17-23(5)16-21(3)11-9-7-8-10-12-27(33)30-24(19-31)18-29(34)26(32)14-13-25-28(29)35-25/h7-15,20-21,23-25,28,31,34H,6,16-19H2,1-5H3,(H,30,33)/b8-7+,11-9+,12-10+,22-15+/t20-,21+,23+,24+,25+,28+,29-/m1/s1
InChIKey KSIWZCYBCSQXTA-JPOQAJQISA-N
SMILES O1[C@@H]2[C@@](O)(C[C@H](NC(=O)/C=C/C=C/C=C/[C@@H](C[C@@H](C/C(=C/[C@@H](CC)C)/C)C)C)CO)C(=O)C=C[C@H]12
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 (+)-scyphostatin (CHEBI:188858) is a cyclohexenones (CHEBI:48953)
IUPAC Name
(2E,4E,6E,8R,10S,12E,14R)-N-[(2S)-1-hydroxy-3-[(1S,2S,6S)-2-hydroxy-3-oxo-7-oxabicyclo[4.1.0]hept-4-en-2-yl]propan-2-yl]-8,10,12,14-tetramethylhexadeca-2,4,6,12-tetraenamide
Manual Xref Database
9423771 ChemSpider
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