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CHEBI:202358 - Myrocin B

ChEBI IDCHEBI:202358
ChEBI NameMyrocin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H22O6
Net Charge0
Average Mass358.390
Monoisotopic Mass358.14164
SMILESC=C[C@]1(C)C=C2C(=O)[C@@]3(O)OC(=O)[C@@]4(C)CC[C@H]5C[C@]5([C@H]43)[C@@]2(O)C(=O)C1
InChIInChI=1S/C20H22O6/c1-4-16(2)8-11-13(22)20(25)14-17(3,15(23)26-20)6-5-10-7-18(10,14)19(11,24)12(21)9-16/h4,8,10,14,24-25H,1,5-7,9H2,2-3H3/t10-,14-,16+,17-,18-,19-,20+/m0/s1
InChIKeyZALWBYOUGDMNTP-RXSCCBSPSA-N
Species of MetaboliteComponentSourceComments
Albifimbria verrucaria (ncbitaxon:1859699) - DOI (10.1271/bbb1961.52.1305)
ChEBI Ontology
Outgoing Relation(s)
Myrocin B (CHEBI:202358) is a naphthofuran (CHEBI:39270)
IUPAC Name 
(1S,2S,5R,9S,12S,15S,17R)-5-ethenyl-2,9-dihydroxy-5,12-dimethyl-10-oxapentacyclo[7.7.1.01,15.02,7.012,17]heptadec-6-ene-3,8,11-trione
Manual XrefsDatabases
78436857ChemSpider