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CHEBI:221993 - F-10863D

ChEBI IDCHEBI:221993
ChEBI NameF-10863D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H54O14
Net Charge0
Average Mass782.880
Monoisotopic Mass782.35136
SMILESCOC(=O)[C@@H]1O[C@]2(CCCC(OC(C)=O)C(C)C/C=C/c3ccccc3)O[C@](C(=O)O)([C@@H](OC(=O)CCCCCCCCc3ccccc3)[C@@H]2O)[C@]1(O)C(=O)O
InChIInChI=1S/C42H54O14/c1-28(18-16-24-31-22-13-9-14-23-31)32(53-29(2)43)25-17-27-40-34(45)35(42(56-40,39(49)50)41(51,38(47)48)36(55-40)37(46)52-3)54-33(44)26-15-7-5-4-6-10-19-30-20-11-8-12-21-30/h8-9,11-14,16,20-24,28,32,34-36,45,51H,4-7,10,15,17-19,25-27H2,1-3H3,(H,47,48)(H,49,50)/b24-16+/t28?,32?,34-,35-,36-,40+,41+,42-/m0/s1
InChIKeyBTUBUBHKZNOKLU-VZIMLEIOSA-N
Species of MetaboliteComponentSourceComments
Mollisia (ncbitaxon:86026) - PubMed (9207908)
ChEBI Ontology
Outgoing Relation(s)
F-10863D (CHEBI:221993) has functional parent hexacarboxylic acid (CHEBI:59359)
F-10863D (CHEBI:221993) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1R,3R,4S,5R,6S,7S)-1-[(E)-4-acetyloxy-5-methyl-8-phenyloct-7-enyl]-4,7-dihydroxy-3-methoxycarbonyl-6-(9-phenylnonanoyloxy)-2,8-dioxabicyclo[3.2.1]octane-4,5-dicarboxylic acid
Manual XrefsDatabases
78438231ChemSpider