CHEBI:218391 - Varioxiranol J

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 J
ChEBI ID CHEBI:218391
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H28O6
Net Charge 0
Average Mass 424.493
Monoisotopic Mass 424.18859
InChI InChI=1S/C25H28O6/c1-13(2)6-7-16-8-9-17(26)20-22(28)21-19(25(29)31-24(16)20)18(27)12-15(5)23(21)30-11-10-14(3)4/h6,8-10,12,22,26-28H,7,11H2,1-5H3/t22-/m1/s1
InChIKey BQQHWQSIRBABAE-JOCHJYFZSA-N
SMILES O=C1OC2=C(C(O)=CC=C2CC=C(C)C)[C@H](C=3C1=C(O)C=C(C)C3OCC=C(C)C)O
Metabolite of Species Details
Aspergillus stellatus (NCBI:txid1549217) See: PubMed
ChEBI Ontology
Outgoing Varioxiranol J (CHEBI:218391) is a dibenzooxazepine (CHEBI:53802)
IUPAC Name
(11S)-1,7,11-trihydroxy-9-methyl-10-(3-methylbut-2-enoxy)-4-(3-methylbut-2-enyl)-11H-benzo[c][1]benzoxepin-6-one
Manual Xref Database
44210924 ChemSpider
View more database links