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CHEBI:3741 - Clerodendrin A

ChEBI IDCHEBI:3741
ChEBI NameClerodendrin A
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC31H42O12
Net Charge0
Average Mass606.665
Monoisotopic Mass606.26763
SMILES[H][C@@]12OC=C[C@]1([H])C[C@@]([H])([C@@]1(C)C(C)=C[C@H](OC(C)=O)[C@]3(COC(C)=O)[C@]1([H])C[C@@H](O)[C@H](OC(=O)[C@@](C)(CC)OC(C)=O)[C@]31CO1)O2
InChIInChI=1S/C31H42O12/c1-8-28(6,43-19(5)34)27(36)42-25-21(35)13-22-29(7,23-12-20-9-10-37-26(20)41-23)16(2)11-24(40-18(4)33)30(22,14-38-17(3)32)31(25)15-39-31/h9-11,20-26,35H,8,12-15H2,1-7H3/t20-,21-,22-,23+,24+,25+,26+,28-,29+,30+,31-/m1/s1
InChIKeyNXKWGKNTUFLKGN-NLDKIVAHSA-N
ChEBI Ontology
Outgoing Relation(s)
Clerodendrin A (CHEBI:3741) is a furofuran (CHEBI:47790)
Synonym  Source
Clerodendrin AKEGG COMPOUND
Manual XrefsDatabases
C09074KEGG COMPOUND
C00003414KNApSAcK
Registry NumbersSources
CAS:35481-70-0KEGG COMPOUND