CHEBI:188521 - Napyradiomycin A1

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ChEBI Name Napyradiomycin A1
ChEBI ID CHEBI:188521
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H30Cl2O5
Net Charge 0
Average Mass 481.410
Monoisotopic Mass 480.14703
InChI InChI=1S/C25H30Cl2O5/c1-14(2)7-6-8-15(3)9-10-25-21(30)17-11-16(28)12-18(29)20(17)22(31)24(25,27)13-19(26)23(4,5)32-25/h7,9,11-12,19,28-29H,6,8,10,13H2,1-5H3/b15-9+/t19-,24+,25+/m1/s1
InChIKey BCPWMPCOEAOEDD-NQSCOFRMSA-N
SMILES Cl[C@@]12[C@](OC([C@H](Cl)C1)(C)C)(C/C=C(/CCC=C(C)C)\C)C(=O)C3=C(C2=O)C(O)=CC(O)=C3
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 Napyradiomycin A1 (CHEBI:188521) is a menaquinones (CHEBI:25185)
IUPAC Name
(3R,4aR,10aS)-3,4a-dichloro-10a-[(2E)-3,7-dimethylocta-2,6-dienyl]-6,8-dihydroxy-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione
Manual Xref Database
4943391 ChemSpider
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Registry Number Type Source
103106-24-7 CAS Registry Number ChemIDplus