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CHEBI:4377 - Delavaine A

ChEBI IDCHEBI:4377
ChEBI NameDelavaine A
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC38H54N2O11
Net Charge0
Average Mass714.853
Monoisotopic Mass714.37276
SMILES[H][C@]12C[C@]3([H])[C@]([H])([C@H]1OC)[C@](O)(C[C@@H]2OC)[C@]1(O)C2N(CC)C[C@]4(COC(=O)c5ccccc5NC(=O)C(C)CC(=O)OC)CC[C@H](OC)[C@@]23[C@]4([H])[C@@H]1OC
InChIInChI=1S/C38H54N2O11/c1-8-40-18-35(19-51-33(43)21-11-9-10-12-24(21)39-32(42)20(2)15-27(41)48-5)14-13-26(47-4)37-23-16-22-25(46-3)17-36(44,28(23)29(22)49-6)38(45,34(37)40)31(50-7)30(35)37/h9-12,20,22-23,25-26,28-31,34,44-45H,8,13-19H2,1-7H3,(H,39,42)/t20?,22-,23-,25+,26+,28-,29+,30-,31+,34?,35+,36-,37+,38-/m1/s1
InChIKeyJCUPDVBWNHFOAD-LVBPXUMQSA-N
ChEBI Ontology
Outgoing Relation(s)
Delavaine A (CHEBI:4377) is a diterpenoid (CHEBI:23849)
Synonym  Source
Delavaine AKEGG COMPOUND
Manual XrefsDatabases
C08674KEGG COMPOUND
C00001630KNApSAcK
Registry NumbersSources
CAS:109291-57-8KEGG COMPOUND