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CHEBI:198202 - Diglycosyi phenol phthiocerol dimycocerosate

ChEBI IDCHEBI:198202
ChEBI NameDiglycosyi phenol phthiocerol dimycocerosate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC118H222O14
Net Charge0
Average Mass1865.060
Monoisotopic Mass1863.66596
SMILESCCCCCCCCCCCCCCCCCCCCCCC(C)CC(C)CC(C)CC(C)C(=O)OC(CCCCCCCCCCCCCCCCc1ccc(OC2OC(C)C(O)C(OC)C2OC2OC(C)C(O)C(OC)C2OC)cc1)CC(CCCCC(C)C(CC)OC)OC(=O)C(C)CC(C)CC(C)CC(C)CCCCCCCCCCCCCCCCCCCCCC
InChIInChI=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
InChIKeySAJRFRBKASIHOA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mycobacterium leprae (ncbitaxon:1769) - DOI (10.1016/0005-2760(89)90347-0)
ChEBI Ontology
Outgoing Relation(s)
Diglycosyi phenol phthiocerol dimycocerosate (CHEBI:198202) is a glycoside (CHEBI:24400)
IUPAC Name 
[27-[4-[5-hydroxy-3-(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxyphenyl]-3-methoxy-4-methyl-9-(2,4,6,8-tetramethyltriacontanoyloxy)heptacosan-11-yl] 2,4,6,8-tetramethyltriacontanoate
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