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CHEBI:230675 - 4-hydroxymytiloxanthin

Default Structure
ChEBI IDCHEBI:230675
ChEBI Name4-hydroxymytiloxanthin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H54O5
Net Charge0
Average Mass614.867
Monoisotopic Mass614.39712
SMILESCC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C(O)=C/C(=O)[C@]2(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)[C@H]1O
InChIInChI=1S/C40H54O5/c1-27(17-13-18-29(3)21-22-33-31(5)37(45)35(43)26-38(33,6)7)15-11-12-16-28(2)19-14-20-30(4)34(42)23-36(44)40(10)25-32(41)24-39(40,8)9/h11-20,23,32,35,37,41-43,45H,24-26H2,1-10H3/b12-11+,17-13+,19-14+,27-15+,28-16+,29-18+,30-20+,34-23-/t32-,35-,37-,40-/m0/s1
InChIKeyGOBUFJJNJJSVFH-ZDQLUEJSSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
4-hydroxymytiloxanthin (CHEBI:230675) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
(2Z,4E,6E,8E,10E,12E,14E,16E)-19-[(3S,4S)-3,4-dihydroxy-2,6,6-trimethylcyclohexen-1-yl]-3-hydroxy-1-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16-octaen-18-yn-1-one
Manual XrefsDatabases
24823146ChemSpider
LMPR01070067LIPID MAPS