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CHEBI:73221 - arabidopside C
| Formula | C49H76O17 |
| Net Charge | 0 |
| Average Mass | 937.130 |
| Monoisotopic Mass | 936.50825 |
| SMILES | CC/C=C\CC1C(=O)C=CC1CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCC1C=CC(=O)C1C/C=C\CC |
| InChI | InChI=1S/C49H76O17/c1-3-5-11-19-34-31(23-25-36(34)51)17-13-8-7-9-15-21-40(53)61-28-33(64-41(54)22-16-10-14-18-32-24-26-37(52)35(32)20-12-6-4-2)29-62-48-47(60)45(58)43(56)39(66-48)30-63-49-46(59)44(57)42(55)38(27-50)65-49/h5-6,11-12,23-26,31-35,38-39,42-50,55-60H,3-4,7-10,13-22,27-30H2,1-2H3/b11-5-,12-6-/t31?,32?,33-,34?,35?,38-,39-,42+,43+,44+,45+,46-,47-,48-,49+/m1/s1 |
| InChIKey | GXTGTCSHGJLVPW-GUDILZOUSA-N |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| arabidopside C (CHEBI:73221) is a arabidopside (CHEBI:73153) |
| arabidopside C (CHEBI:73221) is a diester (CHEBI:51307) |
| arabidopside C (CHEBI:73221) is a glycoglycerolipid (CHEBI:24385) |
| arabidopside C (CHEBI:73221) is a glycosylgalactose derivative (CHEBI:63360) |
| arabidopside C (CHEBI:73221) is a β-D-galactoside (CHEBI:28034) |
| IUPAC Name |
|---|
| (2S)-3-[(6-O-α-D-galactopyranosyl-β-D-galactopyranosyl)oxy]-2-[(6-{4-oxo-5-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl}hexanoyl)oxy]propyl 8-{4-oxo-5-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl}octanoate |
| Registry Numbers | Sources |
|---|---|
| Reaxys:21245875 | Reaxys |
| Reaxys:15872049 | Reaxys |
| Citations |
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