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CHEBI:204229 - (3R,2'S)-myxol 2'-fucoside

ChEBI IDCHEBI:204229
ChEBI Name(3R,2'S)-myxol 2'-fucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H68O7
Net Charge0
Average Mass733.043
Monoisotopic Mass732.49650
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CC[C@H](OC2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)C(C)(C)O)C(C)(C)C[C@H](O)C1
InChIInChI=1S/C46H68O7/c1-31(17-12-13-18-32(2)20-15-23-34(4)25-27-39-36(6)29-38(47)30-45(39,8)9)19-14-21-33(3)22-16-24-35(5)26-28-40(46(10,11)51)53-44-43(50)42(49)41(48)37(7)52-44/h12-25,27,37-38,40-44,47-51H,26,28-30H2,1-11H3/b13-12+,19-14+,20-15+,22-16+,27-25+,31-17+,32-18+,33-21+,34-23+,35-24+/t37-,38+,40-,41+,42+,43-,44?/m0/s1
InChIKeyJWQCETJJOVMVED-QFDQEAMISA-N
Species of MetaboliteComponentSourceComments
Nostocspecies PCC 7120 = FACHB-418 (ncbitaxon:103690) - PubMed (15695449)
ChEBI Ontology
Outgoing Relation(s)
(3R,2'S)-myxol 2'-fucoside (CHEBI:204229) is a xanthophyll (CHEBI:27325)
IUPAC Name 
(3S,4R,5S,6S)-2-[(3S,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-2-hydroxy-25-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-2,6,10,14,19,23-hexamethylpentacosa-6,8,10,12,14,16,18,20,22,24-decaen-3-yl]oxy-6-methyloxane-3,4,5-triol
Manual XrefsDatabases
78437109ChemSpider