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CHEBI:8644 - Purpureaside C

ChEBI IDCHEBI:8644
ChEBI NamePurpureaside C
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC35H46O20
Net Charge0
Average Mass786.733
Monoisotopic Mass786.25824
SMILESC[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
WURCSWURCS=2.0/3,3,2/[a2122h-1b_1-5_1*OCC(CCCCCC$5/8)O(/7)O_4*OCC=^EC(CCCCCC$6/9)O(/8)O/3=O][a2211m-1a_1-5][a2112h-1b_1-5]/1-2-3/a3-b1_a6-c1
InChIInChI=1S/C35H46O20/c1-14-24(42)26(44)29(47)35(51-14)55-32-30(48)34(49-9-8-16-3-6-18(38)20(40)11-16)53-22(13-50-33-28(46)27(45)25(43)21(12-36)52-33)31(32)54-23(41)7-4-15-2-5-17(37)19(39)10-15/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+/t14-,21+,22+,24-,25-,26+,27-,28+,29+,30+,31+,32+,33+,34+,35-/m0/s1
InChIKeyFSBUXLDOLNLABB-HSCIEKESSA-N
ChEBI Ontology
Outgoing Relation(s)
Purpureaside C (CHEBI:8644) is a oligosaccharide (CHEBI:50699)
Synonym  Source
Purpureaside CKEGG COMPOUND
Manual XrefsDatabases
C10488KEGG COMPOUND
C00002769KNApSAcK
Registry NumbersSources
CAS:108648-07-3KEGG COMPOUND