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CHEBI:186182 - Neurosporaxanthin beta-D-glucopyranoside

ChEBI IDCHEBI:186182
ChEBI NameNeurosporaxanthin beta-D-glucopyranoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H56O7
Net Charge0
Average Mass660.892
Monoisotopic Mass660.40260
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)C(=O)O[C@@H]2OC(CO)[C@@H](O)C(O)C2O)C(C)(C)CCC1
InChIInChI=1S/C41H56O7/c1-28(15-9-10-16-29(2)18-12-20-31(4)24-25-34-32(5)23-14-26-41(34,7)8)17-11-19-30(3)21-13-22-33(6)39(46)48-40-38(45)37(44)36(43)35(27-42)47-40/h9-13,15-22,24-25,35-38,40,42-45H,14,23,26-27H2,1-8H3/b10-9+,17-11+,18-12+,21-13+,25-24+,28-15+,29-16+,30-19+,31-20+,33-22+/t35?,36-,37?,38?,40+/m1/s1
InChIKeyYSGAYBLYIWOPCW-DGUJBIDESA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Neurosporaxanthin beta-D-glucopyranoside (CHEBI:186182) is a sesquarterpenoid (CHEBI:51961)
IUPAC Name 
[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-2,6,10,15,19-pentamethyl-21-(2,6,6-trimethylcyclohexen-1-yl)henicosa-2,4,6,8,10,12,14,16,18,20-decaenoate
Manual XrefsDatabases
10479495ChemSpider
LMPR01070207LIPID MAPS