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WormBase Tree Display for Molecule: WBMol:00005268

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Name Class

WBMol:00005268Public_nameicas#3
Monoisotopic_mass445.21
IUPAC(2E,8R)-8-{[3,6-dideoxy-4-O-(1H-indol-3-ylcarbonyl)-alpha-L-arabino-hexopyranosyl]oxy}non-2-enoic acid
SMILESC[C@H](CCCC\C=C\C(O)=O)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)c1c[nH]c2ccccc12
InChiInChI=1S/C24H31NO7/c1-15(9-5-3-4-6-12-22(27)28)30-24-20(26)13-21(16(2)31-24)32-23(29)18-14-25-19-11-8-7-10-17(18)19/h6-8,10-12,14-16,20-21,24-26H,3-5,9,13H2,1-2H3,(H,27,28)/b12-6+/t15-,16+,20-,21-,24-/m1/s1
InChiKeyMHHAGCKXSLPDOU-SUOYGWGXSA-N
Synonym8R-(3'R-hydroxy-5'R-O-(1H-indol-3-ylcarbonyl)-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-2E-nonenoic acid
DB_infoDatabaseChEBICHEBI_ID79052
ChemIDplusRN1355681-39-8
SMID-DBicas#3
StatusDetectedPaper_evidenceWBPaper00040624
WBPaper00041161
Detection_methodLC-MSPaper_evidenceWBPaper00040624
NMRPaper_evidenceWBPaper00041161
Extraction_methodEtOHPaper_evidenceWBPaper00040624
WBPaper00041161
Endogenous_inCaenorhabditis elegans
Biofunction_roleMetabolitePaper_evidenceWBPaper00040624
WBPaper00041161
Affects_phenotype_ofVariationWBVar00000046WBPhenotype:0002405Paper_evidenceWBPaper00040651
Curator_confirmedWBPerson2987
WBVar00088593WBPhenotype:0002405Paper_evidenceWBPaper00040651
Curator_confirmedWBPerson2987
WBVar00091977WBPhenotype:0002405Paper_evidenceWBPaper00040651
Curator_confirmedWBPerson2987
ReferenceWBPaper00038769
WBPaper00040651
WBPaper00040624
WBPaper00041161