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CHEBI:210441 - Restricticin B

ChEBI IDCHEBI:210441
ChEBI NameRestricticin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H35NO7
Net Charge0
Average Mass473.566
Monoisotopic Mass473.24135
SMILESCCC/C=C/C=C/C=C(\C)[C@@H]1OC[C@H](C)[C@H](OC)[C@H]1OC(=O)CN=Cc1c(O)cc(C)oc1=O
InChIInChI=1S/C26H35NO7/c1-6-7-8-9-10-11-12-17(2)24-25(23(31-5)18(3)16-32-24)34-22(29)15-27-14-20-21(28)13-19(4)33-26(20)30/h8-14,18,23-25,28H,6-7,15-16H2,1-5H3/b9-8+,11-10+,17-12+,27-14?/t18-,23-,24-,25+/m0/s1
InChIKeyXNDUJXXPAZANNH-KHOUDVCKSA-N
Species of MetaboliteComponentSourceComments
Penicillium janthinellum (ncbitaxon:5079) - PubMed (32937930)
ChEBI Ontology
Outgoing Relation(s)
Restricticin B (CHEBI:210441) is a α-amino acid ester (CHEBI:46874)
IUPAC Name 
[(2S,3R,4S,5S)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-4-methoxy-5-methyloxan-3-yl] 2-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)methylideneamino]acetate