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CHEBI:208426 - Ochrazepine C

ChEBI IDCHEBI:208426
ChEBI NameOchrazepine C
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SubmitterMetaboLights
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FormulaC26H25N3O8
Net Charge0
Average Mass507.499
Monoisotopic Mass507.16416
SMILESC[C@@H]1NC(=O)c2cc(O)c(O[C@@H](C3=C[C@H](O)[C@@H](C)OC3=O)[C@H](C)O)cc2-n2c1nc1ccccc1c2=O
InChIInChI=1S/C26H25N3O8/c1-11-23-28-17-7-5-4-6-14(17)25(34)29(23)18-10-21(20(32)8-15(18)24(33)27-11)37-22(12(2)30)16-9-19(31)13(3)36-26(16)35/h4-13,19,22,30-32H,1-3H3,(H,27,33)/t11-,12-,13+,19-,22+/m0/s1
InChIKeyRVTRFHDPNFYUPY-SIONPBSTSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (31284571)
ChEBI Ontology
Outgoing Relation(s)
Ochrazepine C (CHEBI:208426) is a pyrimidodiazepine (CHEBI:39306)
IUPAC Name 
(7S)-3-hydroxy-2-[(1S,2S)-2-hydroxy-1-[(2R,3S)-3-hydroxy-2-methyl-6-oxo-2,3-dihydropyran-5-yl]propoxy]-7-methyl-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione
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