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CHEBI:748 - 12alpha-Hydroxyamoorstatin

ChEBI IDCHEBI:748
ChEBI Name12alpha-Hydroxyamoorstatin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC28H36O10
Net Charge0
Average Mass532.586
Monoisotopic Mass532.23085
SMILES[H][C@@]12C[C@@H](O)[C@]3(C)[C@]([H])(C(=O)[C@H](O)[C@@]4(C)[C@H](c5ccoc5)C[C@H]5O[C@]543)[C@]13COC(O)[C@@]2(C)[C@H](OC(C)=O)C[C@@H]3O
InChIInChI=1S/C28H36O10/c1-12(29)37-18-9-17(31)27-11-36-23(34)24(18,2)15(27)8-16(30)26(4)21(27)20(32)22(33)25(3)14(13-5-6-35-10-13)7-19-28(25,26)38-19/h5-6,10,14-19,21-23,30-31,33-34H,7-9,11H2,1-4H3/t14-,15-,16+,17-,18+,19+,21-,22-,23?,24+,25+,26+,27+,28+/m0/s1
InChIKeyPUNWVWPDKCBXSA-RMOQNIQOSA-N
ChEBI Ontology
Outgoing Relation(s)
12alpha-Hydroxyamoorstatin (CHEBI:748) is a limonoid (CHEBI:39434)
Synonym  Source
12alpha-HydroxyamoorstatinKEGG COMPOUND
Manual XrefsDatabases
C08767KEGG COMPOUND
C00003715KNApSAcK
Registry NumbersSources
CAS:71590-47-1KEGG COMPOUND