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CHEBI:216058 - Nematoctone

ChEBI IDCHEBI:216058
ChEBI NameNematoctone
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SubmitterMetaboLights
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FormulaC21H22O5
Net Charge0
Average Mass354.402
Monoisotopic Mass354.14672
SMILESC=C1CO[C@@H]2c3c(O)ccc(O)c3[C@H]3OC(=O)[C@@H]4CC[C@H]5[C@@H]1CC[C@@]25[C@@H]34
InChIInChI=1S/C21H22O5/c1-9-8-25-19-16-14(23)5-4-13(22)15(16)18-17-11(20(24)26-18)2-3-12-10(9)6-7-21(12,17)19/h4-5,10-12,17-19,22-23H,1-3,6-8H2/t10-,11-,12+,17-,18-,19-,21-/m1/s1
InChIKeyMBHXPROXDIPXFX-BYWFDOGKSA-N
Species of MetaboliteComponentSourceComments
Hohenbuehelia (ncbitaxon:71886) - PubMed (30347707)
ChEBI Ontology
Outgoing Relation(s)
Nematoctone (CHEBI:216058) is a naphthofuran (CHEBI:39270)
IUPAC Name 
(1R,4S,8S,15S,18R,21S,22S)-10,13-dihydroxy-5-methylidene-7,16-dioxahexacyclo[13.6.1.01,8.04,21.09,14.018,22]docosa-9,11,13-trien-17-one