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CHEBI:222655 - Chaetiacandin

ChEBI IDCHEBI:222655
ChEBI NameChaetiacandin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H60O16
Net Charge0
Average Mass832.937
Monoisotopic Mass832.38814
SMILESCCC/C=C\C=C\[C@@H](O)C/C=C/C=C\C(=O)O[C@H]1[C@H](O)[C@@H](c2c(O)cc(O)cc2CO)O[C@@H](CO)[C@@H]1O[C@@H]1O[C@H]([C@H](O)COC(=O)/C=C\C=C/CCCCC)[C@H](O)[C@@H]1O
InChIInChI=1S/C43H60O16/c1-3-5-7-9-10-12-16-20-33(50)55-26-31(49)39-36(52)37(53)43(58-39)59-40-32(25-45)56-41(35-27(24-44)22-29(47)23-30(35)48)38(54)42(40)57-34(51)21-17-13-15-19-28(46)18-14-11-8-6-4-2/h8,10-18,20-23,28,31-32,36-49,52-54H,3-7,9,19,24-26H2,1-2H3/b11-8-,12-10-,15-13+,18-14+,20-16-,21-17-/t28-,31-,32+,36-,37+,38-,39-,40+,41-,42+,43+/m1/s1
InChIKeyPIUMRJOLAWVICO-KRQNBIEQSA-N
Species of MetaboliteComponentSourceComments
Monochaetia dimorphospora (ncbitaxon:1835169) - PubMed (3839234)
ChEBI Ontology
Outgoing Relation(s)
Chaetiacandin (CHEBI:222655) is a glycoside (CHEBI:24400)
IUPAC Name 
[(2R,3R,4S,5S,6S)-5-[(2S,3S,4R,5R)-5-[(1R)-2-[(2Z,4Z)-deca-2,4-dienoyl]oxy-1-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-[2,4-dihydroxy-6-(hydroxymethyl)phenyl]-3-hydroxy-6-(hydroxymethyl)oxan-4-yl] (2Z,4E,7S,8E,10Z)-7-hydroxytetradeca-2,4,8,10-tetraenoate
Manual XrefsDatabases
78443028ChemSpider