CHEBI:216362 - SNF4435C

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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 SNF4435C
ChEBI ID CHEBI:216362
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H31NO6
Net Charge 0
Average Mass 477.557
Monoisotopic Mass 477.21514
InChI InChI=1S/C28H31NO6/c1-15-11-16(2)24-27(5,12-15)25(19-7-9-20(10-8-19)29(31)32)28(24)13-21(34-14-28)23-17(3)22(30)18(4)26(33-6)35-23/h7-12,21,24-25H,13-14H2,1-6H3/t21-,24+,25-,27-,28+/m1/s1
InChIKey DXCYJJKWPZZHNZ-PAWAVCGOSA-N
SMILES O=[N+]([O-])C1=CC=C([C@H]2[C@]3([C@H]4C(=CC(=C[C@@]24C)C)C)CO[C@H](C3)C=5OC(OC)=C(C)C(C5C)=O)C=C1
Metabolite of Species Details
Streptomycesspeciesctabilis (NCBI:txid68270) See: PubMed
ChEBI Ontology
Outgoing SNF4435C (CHEBI:216362) is a C-nitro compound (CHEBI:35716)
IUPAC Name
2-methoxy-3,5-dimethyl-6-[(1R,2'R,6S,7S,8R)-1,3,5-trimethyl-8-(4-nitrophenyl)spiro[bicyclo[4.2.0]octa-2,4-diene-7,4'-oxolane]-2'-yl]pyran-4-one
Manual Xref Database
8088555 ChemSpider
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