Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 20:37:28 UTC
Update Date2022-08-31 06:18:56 UTC
Metabolite IDMMDBc0002079
Metabolite Identification
Common Name8-O-methylaverufin
Description8-O-methylaverufin belongs to the class of organic compounds known as hydroxyanthraquinones. Hydroxyanthraquinones are compounds containing a hydroxyanthraquinone moiety, which consists of an anthracene bearing a quinone, and hydroxyl group. Based on a literature review a small amount of articles have been published on 8-O-methylaverufin.
Structure
SynonymsNot Available
Molecular FormulaC21H18O7
Average Mass382.368
Monoisotopic Mass382.10525292
IUPAC Name(1S,17S)-3,9-dihydroxy-7-methoxy-17-methyl-16,21-dioxapentacyclo[15.3.1.0^{2,15}.0^{4,13}.0^{6,11}]henicosa-2(15),3,6,8,10,13-hexaene-5,12-dione
Traditional Name(1S,17S)-3,9-dihydroxy-7-methoxy-17-methyl-16,21-dioxapentacyclo[15.3.1.0^{2,15}.0^{4,13}.0^{6,11}]henicosa-2(15),3,6,8,10,13-hexaene-5,12-dione
CAS Registry NumberNot Available
SMILES
[H][C@]12CCC[C@](C)(OC3=C1C(O)=C1C(=O)C4=C(C=C(O)C=C4OC)C(=O)C1=C3)O2
InChI Identifier
InChI=1S/C21H18O7/c1-21-5-3-4-12(27-21)17-14(28-21)8-11-16(20(17)25)19(24)15-10(18(11)23)6-9(22)7-13(15)26-2/h6-8,12,22,25H,3-5H2,1-2H3/t12-,21-/m0/s1
InChI KeyQZGXXZPRJHSVTD-QKVFXAPYSA-N