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CHEBI:200863 - Emycine D

ChEBI IDCHEBI:200863
ChEBI NameEmycine D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H16O4
Net Charge0
Average Mass308.333
Monoisotopic Mass308.10486
SMILESC[C@@H]1CC(=O)c2c(ccc3c2[C@H]2O[C@@H](O3)c3c(O)cccc32)C1
InChIInChI=1S/C19H16O4/c1-9-7-10-5-6-14-17(15(10)13(21)8-9)18-11-3-2-4-12(20)16(11)19(22-14)23-18/h2-6,9,18-20H,7-8H2,1H3/t9-,18-,19+/m0/s1
InChIKeyJDIGWJJUCUWSNM-VILSBMQHSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1002/ange.19951071525)
ChEBI Ontology
Outgoing Relation(s)
Emycine D (CHEBI:200863) is a dibenzooxazepine (CHEBI:53802)
IUPAC Name 
(1S,6S,13S)-15-hydroxy-6-methyl-12,20-dioxapentacyclo[11.6.1.02,11.03,8.014,19]icosa-2(11),3(8),9,14(19),15,17-hexaen-4-one
Manual XrefsDatabases
59702169ChemSpider