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CHEBI:201176 - Ascotrichester C

ChEBI IDCHEBI:201176
ChEBI NameAscotrichester C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H44O17
Net Charge0
Average Mass796.775
Monoisotopic Mass796.25785
SMILESC[C@H](Cc1cc(O)cc(O)c1C(=O)O[C@H](C)CC(=O)O[C@H](C)Cc1cc(O)cc(O)c1C(=O)O[C@H](C)Cc1cc2cc(O)cc(O)c2c(=O)o1)OC(=O)C[C@@H](C)O
InChIInChI=1S/C40H44O17/c1-18(41)6-33(48)53-19(2)7-23-11-26(42)16-31(46)36(23)39(51)56-22(5)10-34(49)54-20(3)8-24-12-27(43)15-30(45)35(24)38(50)55-21(4)9-29-14-25-13-28(44)17-32(47)37(25)40(52)57-29/h11-22,41-47H,6-10H2,1-5H3/t18-,19-,20-,21-,22-/m1/s1
InChIKeyBBRKLXGZSJEWFQ-ZGJYDULXSA-N
Species of MetaboliteComponentSourceComments
Ascotrichaspecies ZJ-M-5 (ncbitaxon:1217164) - DOI (10.1016/j.tet.2016.06.062)
ChEBI Ontology
Outgoing Relation(s)
Ascotrichester C (CHEBI:201176) has functional parent tetracarboxylic acid (CHEBI:35742)
Ascotrichester C (CHEBI:201176) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[(2R)-4-[(2R)-1-[2-[(2R)-1-(6,8-dihydroxy-1-oxoisochromen-3-yl)propan-2-yl]oxycarbonyl-3,5-dihydroxyphenyl]propan-2-yl]oxy-4-oxobutan-2-yl] 2,4-dihydroxy-6-[(2R)-2-[(3R)-3-hydroxybutanoyl]oxypropyl]benzoate
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