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CHEBI:219013 - Sonomolide B

ChEBI IDCHEBI:219013
ChEBI NameSonomolide B
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SubmitterMetaboLights
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FormulaC20H28O4
Net Charge0
Average Mass332.440
Monoisotopic Mass332.19876
SMILESC=CC1=CC[C@H]2[C@@H](C[C@H]3OC(=O)[C@@]4(C)[C@@H](O)CC[C@@]2(C)[C@@]34O)[C@H]1C
InChIInChI=1S/C20H28O4/c1-5-12-6-7-14-13(11(12)2)10-16-20(23)18(14,3)9-8-15(21)19(20,4)17(22)24-16/h5-6,11,13-16,21,23H,1,7-10H2,2-4H3/t11-,13-,14-,15-,16+,18+,19+,20-/m0/s1
InChIKeyHQKRCEBCNPNBKW-JTKBMLCESA-N
ChEBI Ontology
Outgoing Relation(s)
Sonomolide B (CHEBI:219013) is a naphthofuran (CHEBI:39270)
IUPAC Name 
(1R,2S,6R,7S,9R,12S,13S,16S)-5-ethenyl-13,16-dihydroxy-1,6,12-trimethyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadec-4-en-11-one
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409607ChemSpider