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CHEBI:226911 - Oxazonin A

ChEBI IDCHEBI:226911
ChEBI NameOxazonin A
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DownloadsMolfile
FormulaC58H62N2O10
Net Charge0
Average Mass947.138
Monoisotopic Mass946.44045
SMILESC/C=C/C=C/c1c(CC=C(C)C)cc2c(c1[C@H](Nc1ccccc1C(=O)O)[C@H]1c3c(CC=C(C)C)cc4c(c3[C@@H]3OC(=O)c5ccccc5N3[C@H]1/C=C/C)OC(C)(C)[C@H](O)C4=O)OC(C)(C)[C@H](O)C2=O
InChIInChI=1S/C58H62N2O10/c1-11-13-14-20-35-33(27-25-31(3)4)29-38-48(61)52(63)57(7,8)69-50(38)44(35)47(59-40-23-17-15-21-36(40)55(65)66)45-42(19-12-2)60-41-24-18-16-22-37(41)56(67)68-54(60)46-43(45)34(28-26-32(5)6)30-39-49(62)53(64)58(9,10)70-51(39)46/h11-26,29-30,42,45,47,52-54,59,63-64H,27-28H2,1-10H3,(H,65,66)/b13-11+,19-12+,20-14+/t42-,45+,47-,52+,53+,54-/m0/s1
InChIKeyXRTQQWGKSFIWFH-LAUKYSPHSA-N
ChEBI Ontology
Outgoing Relation(s)
Oxazonin A (CHEBI:226911) is a pyridochromene (CHEBI:53792)
IUPAC Name 
2-[[(R)-[(1S,6S,12R,13S)-6-hydroxy-5,5-dimethyl-10-(3-methylbut-2-enyl)-7,21-dioxo-13-[(E)-prop-1-enyl]-4,22-dioxa-14-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-2(11),3(8),9,15,17,19-hexaen-12-yl]-[(3S)-3-hydroxy-2,2-dimethyl-6-(3-methylbut-2-enyl)-4-oxo-7-[(1E,3E)-penta-1,3-dienyl]-3H-chromen-8-yl]methyl]amino]benzoic acid
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