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CHEBI:198933 - 35-O-beta-3,5-anhydrogalacturonopyranosylbacteriohopanetetrol 2beta-methyl

ChEBI IDCHEBI:198933
ChEBI Name35-O-beta-3,5-anhydrogalacturonopyranosylbacteriohopanetetrol 2beta-methyl
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H70O9
Net Charge0
Average Mass719.013
Monoisotopic Mass718.50198
SMILESC[C@@H]1CC(C)(C)C2CC[C@]3(C)C(CCC4[C@@]5(C)CCC([C@@H](C)CCC(O)C(O)C(O)COC6OC7C(=O)OC(C6O)C7O)C5CC[C@]43C)[C@@]2(C)C1
InChIInChI=1S/C42H70O9/c1-22-19-38(3,4)28-15-18-42(8)30(40(28,6)20-22)12-11-29-39(5)16-13-24(25(39)14-17-41(29,42)7)23(2)9-10-26(43)31(45)27(44)21-49-37-33(47)34-32(46)35(51-37)36(48)50-34/h22-35,37,43-47H,9-21H2,1-8H3/t22-,23+,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,37?,39+,40+,41-,42-/m1/s1
InChIKeyLZFNRZGVNTWMJB-IUJMXDINSA-N
Species of MetaboliteComponentSourceComments
Prochlorothrixspecies (ncbitaxon:54309) - PubMed (8944776)
ChEBI Ontology
Outgoing Relation(s)
35-O-beta-3,5-anhydrogalacturonopyranosylbacteriohopanetetrol 2beta-methyl (CHEBI:198933) is a hopanoid (CHEBI:51963)
IUPAC Name 
3-[(7S)-7-[(5aR,5bR,10R,11aS,13bS)-5a,5b,8,8,10,11a,13b-heptamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]-2,3,4-trihydroxyoctoxy]-4,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-7-one
Manual XrefsDatabases
78445030ChemSpider