Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 19:36:13 UTC
Update Date2022-08-31 06:18:03 UTC
Metabolite IDMMDBc0001367
Metabolite Identification
Common NameBisordariol B
DescriptionBisordariol B belongs to the class of organic compounds known as diphenylmethanes. Diphenylmethanes are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. Based on a literature review a significant number of articles have been published on Bisordariol B.
Structure
SynonymsNot Available
Molecular FormulaC25H32O7
Average Mass444.524
Monoisotopic Mass444.21480337
IUPAC Name(2S,3R,4E)-5-[2-({2-[(1E,3R,4S)-3,4-dihydroxypent-1-en-1-yl]-4-hydroxy-3-(methoxymethyl)phenyl}methyl)-3-hydroxyphenyl]pent-4-ene-2,3-diol
Traditional Name(2S,3R,4E)-5-[2-({2-[(1E,3R,4S)-3,4-dihydroxypent-1-en-1-yl]-4-hydroxy-3-(methoxymethyl)phenyl}methyl)-3-hydroxyphenyl]pent-4-ene-2,3-diol
CAS Registry NumberNot Available
SMILES
[H]\C(=C(\[H])[C@@]([H])(O)[C@]([H])(C)O)C1=C(CC2=C(C([H])=C([H])[C@@]([H])(O)[C@]([H])(C)O)C(COC)=C(O)C=C2)C(O)=CC=C1
InChI Identifier
InChI=1S/C25H32O7/c1-15(26)22(28)10-7-17-5-4-6-24(30)20(17)13-18-8-11-25(31)21(14-32-3)19(18)9-12-23(29)16(2)27/h4-12,15-16,22-23,26-31H,13-14H2,1-3H3/b10-7+,12-9+/t15-,16-,22+,23+/m0/s1
InChI KeyXPBZOXVPRZUJPE-BROUYUIBSA-N