CHEBI:201012 - Varioxiranol L

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Varioxiranol L
ChEBI ID CHEBI:201012
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H28O7
Net Charge 0
Average Mass 404.459
Monoisotopic Mass 404.18350
InChI InChI=1S/C22H28O7/c1-5-17-22(3,25)21(2)19(24)16(28-20(21)29-17)11-9-7-6-8-10-14-12-15(26-4)13-18(23)27-14/h6-13,16-17,19-20,24-25H,5H2,1-4H3/t16-,17-,19+,20+,21+,22+/m1/s1
InChIKey HITOGNCAEBBQJD-OLAQMGEPSA-N
SMILES O=C1OC(=CC(=C1)OC)C=CC=CC=C[C@H]2O[C@H]3O[C@H](CC)[C@@]([C@]3([C@H]2O)C)(O)C
Metabolite of Species Details
Aspergillus stellatus (NCBI:txid1549217) See: PubMed
ChEBI Ontology
Outgoing Varioxiranol L (CHEBI:201012) is a furofuran (CHEBI:47790)
IUPAC Name
6-[6-[(2R,3R,3aR,4R,5R,6aS)-2-ethyl-3,4-dihydroxy-3,3a-dimethyl-2,4,5,6a-tetrahydrouro[2,3-b]uran-5-yl]hexa-1,3,5-trienyl]-4-methoxypyran-2-one