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CHEBI:223112 - Atranone C

ChEBI IDCHEBI:223112
ChEBI NameAtranone C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H32O6
Net Charge0
Average Mass416.514
Monoisotopic Mass416.21989
SMILESC/C1=C/CC2=C(C(C)C)CC(=O)O[C@]2(C)CC/C(C)=C2/OC(=O)[C@@H]3[C@H]2[C@@H]1O[C@]3(C)O
InChIInChI=1S/C24H32O6/c1-12(2)15-11-17(25)29-23(5)10-9-14(4)20-18-19(22(26)28-20)24(6,27)30-21(18)13(3)7-8-16(15)23/h7,12,18-19,21,27H,8-11H2,1-6H3/b13-7-,20-14+/t18-,19+,21-,23-,24+/m1/s1
InChIKeyYAEXNKPEJYCROB-RDIKRESBSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - DOI (10.1016/s0040-4039(99)00350-0)
ChEBI Ontology
Outgoing Relation(s)
Atranone C (CHEBI:223112) is a furofuran (CHEBI:47790)
IUPAC Name 
(1E,5R,12Z,14S,16S,17R,20S)-16-hydroxy-2,5,13,16-tetramethyl-9-propan-2-yl-6,15,19-trioxatetracyclo[12.5.1.05,10.017,20]icosa-1,9,12-triene-7,18-dione