Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 19:48:51 UTC
Update Date2022-08-31 06:18:17 UTC
Metabolite IDMMDBc0001582
Metabolite Identification
Common NameDiglycosyi phenol phthiocerol dimycocerosate
DescriptionDiglycosyi phenol phthiocerol dimycocerosate belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Based on a literature review a significant number of articles have been published on Diglycosyi phenol phthiocerol dimycocerosate.
Structure
Synonyms
ValueSource
Diglycosyi phenol phthiocerol dimycocerosic acidGenerator
Molecular FormulaC118H222O14
Average Mass1865.06
Monoisotopic Mass1863.665961828
IUPAC Name27-[4-({5-hydroxy-3-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)phenyl]-3-methoxy-4-methyl-11-[(2,4,6,8-tetramethyltriacontanoyl)oxy]heptacosan-9-yl 2,4,6,8-tetramethyltriacontanoate
Traditional Name27-[4-({5-hydroxy-3-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)phenyl]-3-methoxy-4-methyl-11-[(2,4,6,8-tetramethyltriacontanoyl)oxy]heptacosan-9-yl 2,4,6,8-tetramethyltriacontanoate
CAS Registry NumberNot Available
SMILES
CCCCCCCCCCCCCCCCCCCCCCC(C)CC(C)CC(C)CC(C)C(=O)OC(CCCCCCCCCCCCCCCCC1=CC=C(OC2OC(C)C(O)C(OC)C2OC2OC(C)C(O)C(OC)C2OC)C=C1)CC(CCCCC(C)C(CC)OC)OC(=O)C(C)CC(C)CC(C)CC(C)CCCCCCCCCCCCCCCCCCCCCC
InChI Identifier
InChI=1S/C118H222O14/c1-19-22-24-26-28-30-32-34-36-38-40-42-44-46-50-54-58-62-66-70-76-93(4)86-95(6)88-97(8)90-100(11)115(121)129-106(80-73-69-65-61-57-53-49-48-52-56-60-64-68-72-79-104-82-84-105(85-83-104)131-118-114(112(125-17)110(120)103(14)128-118)132-117-113(126-18)111(124-16)109(119)102(13)127-117)92-107(81-75-74-78-99(10)108(21-3)123-15)130-116(122)101(12)91-98(9)89-96(7)87-94(5)77-71-67-63-59-55-51-47-45-43-41-39-37-35-33-31-29-27-25-23-20-2/h82-85,93-103,106-114,117-120H,19-81,86-92H2,1-18H3
InChI KeySAJRFRBKASIHOA-UHFFFAOYSA-N