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CHEBI:188614 - integracin D

ChEBI IDCHEBI:188614
ChEBI Nameintegracin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H56O11S
Net Charge0
Average Mass708.911
Monoisotopic Mass708.35433
SMILESCCC[C@@H](CCCCCCCc1cc(O)cc(O)c1C(=O)O[C@@H](CCC)CCCCCCCc1cc(O)cc(OS(=O)(=O)O)c1)OC(C)=O
InChIInChI=1S/C37H56O11S/c1-4-16-32(46-27(3)38)20-14-11-7-9-13-19-29-24-31(40)26-35(41)36(29)37(42)47-33(17-5-2)21-15-10-6-8-12-18-28-22-30(39)25-34(23-28)48-49(43,44)45/h22-26,32-33,39-41H,4-21H2,1-3H3,(H,43,44,45)/t32-,33-/m0/s1
InChIKeyOHUSWAVBPOGHPI-LQJZCPKCSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
ChEBI Ontology
Outgoing Relation(s)
integracin D (CHEBI:188614) is a 4-hydroxybenzoate ester (CHEBI:79323)
IUPAC Name 
[(4S)-11-(3-hydroxy-5-sulooxyphenyl)undecan-4-yl] 2-[(8S)-8-acetyloxyundecyl]-4,6-dihydroxybenzoate
Manual XrefsDatabases
27024935ChemSpider