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CHEBI:225969 - Atranone B

ChEBI IDCHEBI:225969
ChEBI NameAtranone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34O7
Net Charge0
Average Mass446.540
Monoisotopic Mass446.23045
SMILESCOC1=C(C(C)C)[C@H]2C/C=C(/C)[C@@H]3O[C@@](C)(O)[C@H]4C(=O)O/C(=C(\C)CC[C@]2(C)OC1=O)[C@@H]34
InChIInChI=1S/C25H34O7/c1-12(2)16-15-9-8-13(3)20-17-18(25(6,28)31-20)22(26)30-19(17)14(4)10-11-24(15,5)32-23(27)21(16)29-7/h8,12,15,17-18,20,28H,9-11H2,1-7H3/b13-8-,19-14+/t15-,17+,18-,20+,24+,25-/m1/s1
InChIKeyBDGOANHBKYFDGC-OHCOVCQESA-N
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - DOI (10.1016/s0040-4039(99)00350-0)
ChEBI Ontology
Outgoing Relation(s)
Atranone B (CHEBI:225969) is a furofuran (CHEBI:47790)
IUPAC Name 
(1E,5S,10R,12Z,14R,16R,17S,20R)-16-hydroxy-8-methoxy-2,5,13,16-tetramethyl-9-propan-2-yl-6,15,19-trioxatetracyclo[12.5.1.05,10.017,20]icosa-1,8,12-triene-7,18-dione