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CHEBI:188768 - briaexcavatin A

ChEBI IDCHEBI:188768
ChEBI Namebriaexcavatin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H36O14
Net Charge0
Average Mass596.582
Monoisotopic Mass596.21051
SMILES[H][C@]12[C@@H](C)OC(=O)C[C@H](OC(C)=O)[C@]1(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C[C@@]1(C)O[C@@]1([H])[C@]1([H])OC(=O)[C@]3(C)O[C@]13[C@H]2OC(C)=O
InChIInChI=1S/C28H36O14/c1-11-19-21(39-15(5)32)28-23(40-24(34)27(28,8)42-28)22-25(6,41-22)10-16(36-12(2)29)20(38-14(4)31)26(19,7)17(37-13(3)30)9-18(33)35-11/h11,16-17,19-23H,9-10H2,1-8H3/t11-,16+,17+,19-,20+,21+,22+,23+,25-,26+,27+,28-/m1/s1
InChIKeyCELXSEIYYIJXMO-LYBIDNKKSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
ChEBI Ontology
Outgoing Relation(s)
briaexcavatin A (CHEBI:188768) has functional parent pentacarboxylic acid (CHEBI:35743)
briaexcavatin A (CHEBI:188768) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[(1R,2S,3R,5R,8S,9S,11R,13S,14R,15R,16S,20R)-2,13,14-triacetyloxy-5,11,15,20-tetramethyl-6,18-dioxo-4,7,10,19-tetraoxapentacyclo[13.5.0.03,5.03,8.09,11]icosan-16-yl] acetate
Manual XrefsDatabases
10481062ChemSpider