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CHEBI:219364 - Brabetaicicene N

ChEBI IDCHEBI:219364
ChEBI NameBrabetaicicene N
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30O6
Net Charge0
Average Mass378.465
Monoisotopic Mass378.20424
SMILESCOC[C@@]1(O)CC[C@@H]2C1=C[C@]1(O)O[C@@H](CC3=C(C(C)C)C(=O)O[C@@]31C)[C@@H]2C
InChIInChI=1S/C21H30O6/c1-11(2)17-14-8-16-12(3)13-6-7-20(23,10-25-5)15(13)9-21(24,26-16)19(14,4)27-18(17)22/h9,11-13,16,23-24H,6-8,10H2,1-5H3/t12-,13+,16+,19+,20+,21+/m1/s1
InChIKeyVORAYVCCQFEERK-WVRBPUKMSA-N
ChEBI Ontology
Outgoing Relation(s)
Brabetaicicene N (CHEBI:219364) is a furopyran (CHEBI:74927)
IUPAC Name 
(1S,2R,3S,6R,9S,10S)-6,9-dihydroxy-6-(methoxymethyl)-2,10-dimethyl-13-propan-2-yl-11,16-dioxatetracyclo[7.6.1.03,7.010,14]hexadeca-7,13-dien-12-one
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78439520ChemSpider