CHEBI:223112 - Atranone C

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ChEBI Name Atranone C
ChEBI ID CHEBI:223112
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H32O6
Net Charge 0
Average Mass 416.514
Monoisotopic Mass 416.21989
InChI InChI=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
InChIKey YAEXNKPEJYCROB-RDIKRESBSA-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(C1)C(C)C)C
Metabolite of Species Details
Stachybotrys (NCBI:txid74721) See: DOI
ChEBI Ontology
Outgoing 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