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| 06. Name of Biological Source of Chemical |
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06. Name of Biological Source of Chemical |
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Brucea javanica (6) |
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| 07. Part of Biological Source of Chemical |
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07. Part of Biological Source of Chemical |
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fruit [PO:0009001] (81) |
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| 08. Chemical Category |
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08. Chemical Category |
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15-O-acetylbruceolide [CHEBI:65530] (1) |
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| ChEBI Compound Accession Identifier: |
[CHEBI:65530] |
| ChEBI Compound Description: |
null |
| ChEBI Compound Identification Number: |
65530 |
| ChEBI InChI Value: |
InChI=1S/C23H28O11/c1-8-10-5-12-22-7-32-23(20(30)31-4,17(22)15(19(29)34-12)33-9(2)24)18(28)14(27)16(22)21(10,3)6-11(25)13(8)26/h10,12,14-18,26-28H,5-7H2,1-4H3/t10-,12+,14+,15+,16+,17+,18-,21-,22+,23+/m0/s1 |
| ChEBI InChIKey Value: |
YDWODLQEUPYKGJ-MUVFDYEFSA-N |
| ChEBI Compound Name: |
15-O-acetylbruceolide |
| ChEBI SMILES Value: |
[H][C@@]12C[C@@]3([H])C(C)=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: |
160709421 |
| ChEBI URL: |
ChEBI:65530 |
| ChemSpider ID: |
4474798 |
| Ontomatica Chemical Accession Key (OnChAKey): |
YDWODLQEUPYKGJ_MUVFDYEFSA_N_000_000000 |
| PubChem Compound ID: |
5315508 |