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CHEBI:47633 - Methyl-cyclo-hepta-amylose

Default Structure
ChEBI IDCHEBI:47633
ChEBI NameMethyl-cyclo-hepta-amylose
Stars
DownloadsMolfile
FormulaC49H84O35
Net Charge0
Average Mass1233.176
Monoisotopic Mass1232.47931
SMILES[H]OC([H])([H])[C@@]1([H])O[C@]2([H])O[C@@]3([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[C@@]4([H])[C@]([H])(OC([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(O[C@@]5([H])[C@]([H])(OC([H])([H])[H])[C@@]([H])(OC([H])([H])[H])[C@@]([H])(O[C@@]6([H])[C@]([H])(O[H])[C@@]([H])(OC([H])([H])[H])[C@@]([H])(O[C@@]7([H])[C@]([H])(O[H])[C@@]([H])(OC([H])([H])[H])[C@@]([H])(O[C@@]8([H])[C@]([H])(O[H])[C@@]([H])(OC([H])([H])[H])[C@@]([H])(O[C@@]1([H])[C@]([H])(O[H])[C@@]2([H])O[H])O[C@]8([H])C([H])([H])O[H])O[C@]7([H])C([H])([H])OC([H])([H])[H])O[C@]6([H])C([H])([H])O[H])O[C@]5([H])C([H])([H])O[H])O[C@]4([H])C([H])([H])O[H])O[C@]3([H])C([H])([H])O[H]
InChIInChI=1S/C49H84O35/c1-64-14-21-34-28(62)40(68-5)48(77-21)80-32-17(10-52)74-46(38(66-3)26(32)60)79-31-16(9-51)71-43(24(58)23(31)57)78-30-15(8-50)72-44(25(59)22(30)56)83-35-19(12-54)73-45(29(63)37(35)65-2)84-36-20(13-55)76-49(42(70-7)41(36)69-6)81-33-18(11-53)75-47(82-34)39(67-4)27(33)61/h15-63H,8-14H2,1-7H3/t15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26+,27+,28+,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41+,42-,43-,44-,45-,46-,47-,48-,49-/m1/s1
InChIKeyGWQZGLPMECXEIW-BHDJXRNPSA-N
ChEBI Ontology
Outgoing Relation(s)
Methyl-cyclo-hepta-amylose (CHEBI:47633) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21R,23R,25R,26R,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42S,43R,44S,45R,46S,47R,48S,49R)-5,15,20,25,30,35-hexakis(hydroxymethyl)-40,42,43,45,47,49-hexamethoxy-10-(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.2~3,6~.2~8,11~.2~13,16~.2~18,21~.2~23,26~.2~28,31~]nonatetracontane-36,37,38,39,41,44,46,48-octol (non-preferred name)PDBeChem
Methyl-cyclo-hepta-amylosePDBeChem
Manual XrefsDatabases
QKHPDBeChem