CHEBI:214205 - Atranone T

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Atranone T
ChEBI ID CHEBI:214205
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H32O7
Net Charge 0
Average Mass 432.513
Monoisotopic Mass 432.21480
InChI InChI=1S/C24H32O7/c1-11(2)15-14-8-7-12(3)20-16-17(24(6,28)30-20)21(26)29-19(16)13(4)9-10-23(14,5)31-22(27)18(15)25/h7,11,16-18,20,25,28H,8-10H2,1-6H3/b12-7-,19-13+/t16-,17+,18+,20-,23-,24+/m0/s1
InChIKey DFLCYRFBJXEXHF-CVDOKQQPSA-N
SMILES O=C1O[C@@]2(C(CC=C([C@@H]3O[C@](O)(C)[C@@H]4[C@H]3C(=C(CC2)C)OC4=O)C)=C([C@H]1O)C(C)C)C
Metabolite of Species Details
Stachybotrys chartarum (NCBI:txid74722) See: PubMed
ChEBI Ontology
Outgoing Atranone T (CHEBI:214205) is a furofuran (CHEBI:47790)
IUPAC Name
(1E,5S,8R,12Z,14R,16R,17S,20R)-8,16-dihydroxy-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