CHEBI:225969 - Atranone B

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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 B
ChEBI ID CHEBI:225969
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C25H34O7
Net Charge 0
Average Mass 446.540
Monoisotopic Mass 446.23045
InChI InChI=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
InChIKey BDGOANHBKYFDGC-OHCOVCQESA-N
SMILES O=C1O[C@@]2([C@H](CC=C([C@@H]3O[C@](O)(C)[C@@H]4[C@H]3C(=C(CC2)C)OC4=O)C)C(=C1OC)C(C)C)C
Metabolite of Species Details
Stachybotrys (NCBI:txid74721) See: DOI
ChEBI Ontology
Outgoing 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