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CHEBI:40958 - BALANOL

Default Structure
ChEBI IDCHEBI:40958
ChEBI NameBALANOL
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC28H26N2O10
Net Charge0
Average Mass550.520
Monoisotopic Mass550.15875
SMILES[H]OC(=O)c1c([H])c([H])c([H])c(O[H])c1C(=O)c1c(O[H])c([H])c(C(=O)O[C@]2([H])C([H])([H])C([H])([H])C([H])([H])N([H])C([H])([H])[C@@]2([H])N([H])C(=O)c2c([H])c([H])c(O[H])c([H])c2[H])c([H])c1O[H]
InChIInChI=1S/C28H26N2O10/c31-16-8-6-14(7-9-16)26(36)30-18-13-29-10-2-5-22(18)40-28(39)15-11-20(33)24(21(34)12-15)25(35)23-17(27(37)38)3-1-4-19(23)32/h1,3-4,6-9,11-12,18,22,29,31-34H,2,5,10,13H2,(H,30,36)(H,37,38)/t18-,22-/m1/s1
InChIKeyXYUFCXJZFZPEJD-XMSQKQJNSA-N
ChEBI Ontology
Outgoing Relation(s)
BALANOL (CHEBI:40958) is a unclassifieds (CHEBI:27189)
Synonyms  Source
2-{[2,6-dihydroxy-4-({[(3R,4R)-3-{[(4-hydroxyphenyl)carbonyl]amino}azepan-4-yl]oxy}carbonyl)phenyl]carbonyl}-3-hydroxybenzoic acidPDBeChem
BALANOLPDBeChem
Manual XrefsDatabases
BA1PDBeChem