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3,15-di-O-acetylbruceolide
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07. Part of Biological Source of Chemical: plant structure [PO:0009011] > multi-tissue plant structure [PO:0025496] > fruit [PO:0009001]
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06. Name of Biological Source of Chemical 
06. Name of Biological Source of Chemical
 Plantae (1926) 
 Magnoliophyta (1872) 
 Magnoliopsida (1649) 
 Sapindales (202) 
 Simaroubaceae (20) 
 Brucea (6) 
 Brucea javanica (6)
07. Part of Biological Source of Chemical 
07. Part of Biological Source of Chemical
 plant structure [PO:0009011] (1497) 
 multi-tissue plant structure [PO:0025496] (1114) 
 fruit [PO:0009001] (81)
08. Chemical Category 
08. Chemical Category
 main group molecular entity [CHEBI:33579] (25650) 
 p-block molecular entity [CHEBI:33675] (25343) 
 carbon group molecular entity [CHEBI:33582] (23847) 
 organic molecular entity [CHEBI:50860] (23769) 
 3,15-di-O-acetylbruceolide [CHEBI:65532] (1)
ChEBI Compound Accession Identifier  [CHEBI:65532]
ChEBI Compound Description  null
ChEBI Compound Identification Number  65532
ChEBI InChI Value  InChI=1S/C25H30O12/c1-9-12-6-14-24-8-34-25(22(32)33-5,19(24)17(21(31)37-14)36-11(3)27)20(30)15(29)18(24)23(12,4)7-13(28)16(9)35-10(2)26/h12,14-15,17-20,29-30H,6-8H2,1-5H3/t12-,14+,15+,17+,18+,19+,20-,23-,24+,25+/m0/s1
ChEBI InChIKey Value  ZDBJNNBVIRSCJN-LFVFYYESSA-N
ChEBI Compound Name  3,15-di-O-acetylbruceolide
ChEBI SMILES Value  [H][C@@]12C[C@@]3([H])C(C)=C(OC(C)=O)C(=O)C[C@]3(C)[C@@]3([H])[C@@H](O)[C@H](O)[C@@]4(OC[C@@]13[C@@]4([H])[C@@H](OC(C)=O)C(=O)O2)C(=O)OC
ChEBI Substance ID  160709405
ChEBI URL  ChEBI:65532
ChemSpider ID  NS
Ontomatica Chemical Accession Key (OnChAKey)  ZDBJNNBVIRSCJN_LFVFYYESSA_N_000_000000
PubChem Compound ID  70697720