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CHEBI:207520 - (3S,2′S)-4-ketomyxol 2′-fucoside

ChEBI IDCHEBI:207520
ChEBI Name(3S,2′S)-4-ketomyxol 2′-fucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H66O8
Net Charge0
Average Mass747.026
Monoisotopic Mass746.47577
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=O
InChIInChI=1S/C46H66O8/c1-30(17-12-13-18-31(2)20-15-23-33(4)25-27-37-35(6)40(48)38(47)29-45(37,8)9)19-14-21-32(3)22-16-24-34(5)26-28-39(46(10,11)52)54-44-43(51)42(50)41(49)36(7)53-44/h12-25,27,36,38-39,41-44,47,49-52H,26,28-29H2,1-11H3/b13-12+,19-14+,20-15+,22-16+,27-25+,30-17+,31-18+,32-21+,33-23+,34-24+/t36-,38-,39-,41+,42+,43-,44?/m0/s1
InChIKeyFYKICBMSBYHBDI-CZUCUDRGSA-N
Species of MetaboliteComponentSourceComments
Nostocspecies PCC 7120 = FACHB-418 (ncbitaxon:103690) - PubMed (15695449)
ChEBI Ontology
Outgoing Relation(s)
(3S,2′S)-4-ketomyxol 2′-fucoside (CHEBI:207520) is a xanthophyll (CHEBI:27325)
IUPAC Name 
(6S)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,23S)-24-hydroxy-3,7,12,16,20,24-hexamethyl-23-[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypentacosa-1,3,5,7,9,11,13,15,17,19-decaenyl]-2,4,4-trimethylcyclohex-2-en-1-one
Manual XrefsDatabases
78438422ChemSpider