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CHEBI:182334 - methyl (2S)-2-[(1S,5S,6S,10S,12S,13R,15S,16R,19S)-6-(furan-3-yl)-15,18-dihydroxy-1,5,16-trimethyl-8,14-dioxo-7,11-dioxahexacyclo[14.2.1.02,12.05,10.010,12.013,18]nonadecan-19-yl]-2-hydroxyacetate

ChEBI IDCHEBI:182334
ChEBI Namemethyl (2S)-2-[(1S,5S,6S,10S,12S,13R,15S,16R,19S)-6-(furan-3-yl)-15,18-dihydroxy-1,5,16-trimethyl-8,14-dioxo-7,11-dioxahexacyclo[14.2.1.02,12.05,10.010,12.013,18]nonadecan-19-yl]-2-hydroxyacetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H32O10
Net Charge0
Average Mass516.543
Monoisotopic Mass516.19955
SMILES[H][C@]1([C@H](O)C(=O)OC)[C@@]2(C)CC3(O)[C@]1(C)C1CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)C[C@]45O[C@]15[C@]3([H])C(=O)[C@H]2O
InChIInChI=1S/C27H32O10/c1-22-11-25(33)18(15(29)19(22)31)27-13(24(25,3)17(22)16(30)21(32)34-4)5-7-23(2)20(12-6-8-35-10-12)36-14(28)9-26(23,27)37-27/h6,8,10,13,16-20,30-31,33H,5,7,9,11H2,1-4H3/t13?,16-,17-,18+,19+,20-,22+,23-,24+,25?,26-,27-/m0/s1
InChIKeySZIDPCXTWHHMAY-WRFOTCILSA-N
ChEBI Ontology
Outgoing Relation(s)
methyl (2S)-2-[(1S,5S,6S,10S,12S,13R,15S,16R,19S)-6-(furan-3-yl)-15,18-dihydroxy-1,5,16-trimethyl-8,14-dioxo-7,11-dioxahexacyclo[14.2.1.02,12.05,10.010,12.013,18]nonadecan-19-yl]-2-hydroxyacetate (CHEBI:182334) is a prostanoid (CHEBI:26347)
IUPAC Name 
methyl (2S)-2-[(1S,5S,6S,10S,12S,13R,15S,16R,19S)-6-(uran-3-yl)-15,18-dihydroxy-1,5,16-trimethyl-8,14-dioxo-7,11-dioxahexacyclo[14.2.1.02,12.05,10.010,12.013,18]nonadecan-19-yl]-2-hydroxyacetate