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CHEBI:34654 - Correolide

ChEBI IDCHEBI:34654
ChEBI NameCorreolide
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC40H52O16
Net Charge0
Average Mass788.840
Monoisotopic Mass788.32554
SMILES[H][C@@]12C=CC(=O)OC[C@]1(C(C)OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]1([H])[C@@]2(C)CC[C@@]2([H])[C@]3(O)CC(=C)[C@H]4O[C@@]4(C(=O)OC)[C@]3(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]21C
InChIInChI=1S/C40H52O16/c1-18-16-39(48)26-14-15-35(8)25-12-13-27(46)50-17-38(25,19(2)51-20(3)41)31(53-22(5)43)28(52-21(4)42)29(35)36(26,9)32(54-23(6)44)33(55-24(7)45)37(39,10)40(30(18)56-40)34(47)49-11/h12-13,19,25-26,28-33,48H,1,14-17H2,2-11H3/t19?,25-,26+,28-,29-,30+,31-,32+,33-,35-,36-,37+,38+,39+,40-/m0/s1
InChIKeyVKDXHXWBOARFPD-IHWRNOMOSA-N
ChEBI Ontology
Outgoing Relation(s)
Correolide (CHEBI:34654) is a hydroxy steroid (CHEBI:35350)
Synonym  Source
CorreolideKEGG COMPOUND
Manual XrefsDatabases
C13849KEGG COMPOUND