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CHEBI:213190 - Ascotrichalactone A

ChEBI IDCHEBI:213190
ChEBI NameAscotrichalactone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H44O17
Net Charge0
Average Mass796.775
Monoisotopic Mass796.25785
SMILESC[C@@H]1Cc2cc(O)cc(O)c2C(=O)O[C@H](C)CC(=O)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/C40H44O17/c1-18-6-23-11-27(42)15-30(45)35(23)38(50)55-20(3)8-26(41)13-25-14-29(44)17-32(47)37(25)40(52)57-22(5)10-34(49)54-19(2)7-24-12-28(43)16-31(46)36(24)39(51)56-21(4)9-33(48)53-18/h11-12,14-22,42-47H,6-10,13H2,1-5H3/t18-,19-,20-,21-,22-/m1/s1
InChIKeyMCACFWNEDBOSRP-ZGJYDULXSA-N
Species of MetaboliteComponentSourceComments
Ascotrichaspecies ZJ-M-5 (ncbitaxon:1217164) - DOI (10.1016/j.tet.2016.06.062)
ChEBI Ontology
Outgoing Relation(s)
Ascotrichalactone A (CHEBI:213190) has functional parent hexacarboxylic acid (CHEBI:59359)
Ascotrichalactone A (CHEBI:213190) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(4R,16R,20R,30R,34R)-10,12,24,26,38,40-hexahydroxy-4,16,20,30,34-pentamethyl-3,15,19,29,33-pentaoxatetracyclo[34.4.0.08,13.022,27]tetraconta-1(36),8(13),9,11,22(27),23,25,37,39-nonaene-2,6,14,18,28,32-hexone
Manual XrefsDatabases
58197020ChemSpider