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CHEBI:207127 - Sch 58777

ChEBI IDCHEBI:207127
ChEBI NameSch 58777
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H36O17
Net Charge0
Average Mass632.568
Monoisotopic Mass632.19525
SMILESCOC[C@H]1O[C@@H](O[C@@H]2OC[C@@H]3O[C@@]4(OC[C@@H](OC(=O)c5c(C)cc(O)cc5O)[C@@H]5OCO[C@H]54)O[C@H]3[C@H]2O)[C@@H](OC)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/2,2,1/[a1122h-1b_1-5_2*OC_6*OC][a221h-1a_1-5_3-4*OC^SO*/3C^RC^RC^ROC(CCCCCC$11/16)O(/14)O(/12)C/10=O/8CO$3/7OCO$6]/1-2/a1-b1
InChIInChI=1S/C27H36O17/c1-10-4-11(28)5-12(29)16(10)24(33)40-14-8-39-27(23-21(14)37-9-38-23)43-15-7-36-25(19(32)20(15)44-27)42-26-22(35-3)18(31)17(30)13(41-26)6-34-2/h4-5,13-15,17-23,25-26,28-32H,6-9H2,1-3H3/t13-,14-,15+,17-,18+,19-,20-,21+,22+,23-,25+,26+,27-/m1/s1
InChIKeyDMCOMPYCVOEFMC-KHPJSCGOSA-N
Species of MetaboliteComponentSourceComments
Micromonospora (ncbitaxon:1873) - PubMed (12444681)
ChEBI Ontology
Outgoing Relation(s)
Sch 58777 (CHEBI:207127) is a oligosaccharide (CHEBI:50699)
IUPAC Name 
[(3aR,3'aS,4R,6'S,7R,7'R,7aS,7'aS)-6'-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-3-methoxy-6-(methoxymethyl)oxan-2-yl]oxy-7'-hydroxyspiro[3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4,2'-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7-yl] 2,4-dihydroxy-6-methylbenzoate
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