CHEBI:211694 - Arugosin O

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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 Arugosin O
ChEBI ID CHEBI:211694
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H30O5
Net Charge 0
Average Mass 422.521
Monoisotopic Mass 422.20932
InChI InChI=1S/C26H30O5/c1-15(2)7-6-8-16(3)9-10-18-11-12-21-23(24(18)28)25(29)22-19(26(30-5)31-21)13-17(4)14-20(22)27/h7,9,11-14,26-28H,6,8,10H2,1-5H3/b16-9+/t26-/m0/s1
InChIKey PIMRSVYFPCPPHA-JGMOMGQESA-N
SMILES O=C1C2=C(O)C(=CC=C2O[C@@H](C=3C1=C(O)C=C(C)C3)OC)C/C=C(/CCC=C(C)C)\C
ChEBI Ontology
Outgoing Arugosin O (CHEBI:211694) is a dibenzooxazepine (CHEBI:53802)
IUPAC Name
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,10-dihydroxy-6-methoxy-8-methyl-6H-benzo[c][1]benzoxepin-11-one