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CHEBI:204298 - 15G256omega

ChEBI IDCHEBI:204298
ChEBI Name15G256omega
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H48O18
Net Charge0
Average Mass840.828
Monoisotopic Mass840.28406
SMILESC[C@@H]1Cc2cc(O)cc(O)c2C(=O)O[C@H](C)CC(=O)O[C@H](C)Cc2cc(O)cc(O)c2C(=O)O[C@H](C)CC(=O)O[C@H](C)Cc2cc(O)cc(O)c2C(=O)O[C@H](C)CC(=O)O1
InChIInChI=1S/C42H48O18/c1-19-7-25-13-28(43)16-31(46)37(25)40(52)59-23(5)11-35(50)56-21(3)9-27-15-30(45)18-33(48)39(27)42(54)60-24(6)12-36(51)57-20(2)8-26-14-29(44)17-32(47)38(26)41(53)58-22(4)10-34(49)55-19/h13-24,43-48H,7-12H2,1-6H3/t19-,20-,21-,22-,23-,24-/m1/s1
InChIKeyULIGBXUBZPUQCQ-TZNXUKFXSA-N
Species of MetaboliteComponentSourceComments
Hypoxylon (ncbitaxon:42308) - DOI (10.1016/s0040-4020(02)00746-9)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
15G256omega (CHEBI:204298) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
(4R,8R,18R,22R,32R,36R)-12,14,26,28,40,42-hexahydroxy-4,8,18,22,32,36-hexamethyl-3,7,17,21,31,35-hexaoxatetracyclo[36.4.0.010,15.024,29]dotetraconta-1(38),10(15),11,13,24(29),25,27,39,41-nonaene-2,6,16,20,30,34-hexone
Manual XrefsDatabases
8254771ChemSpider