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CHEBI:234053 - 2α,3β,6β,23α-tetrahydroxyurs-12-en-28-oic acid 28-O-β-D-glucoside
| Formula | C36H58O11 |
| Net Charge | 0 |
| Average Mass | 666.849 |
| Monoisotopic Mass | 666.39791 |
| SMILES | [H][C@]12CC=C3[C@@](C)(CC[C@@]4(C(=O)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@@H](C)[C@H](C)[C@@]34[H])[C@]1(C)C[C@@H](O)[C@]1([H])[C@]2(C)C[C@@H](O)[C@H](O)[C@@]1(C)CO |
| InChI | InChI=1S/C36H58O11/c1-17-9-10-36(31(45)47-30-27(43)26(42)25(41)22(15-37)46-30)12-11-34(5)19(24(36)18(17)2)7-8-23-32(3)13-21(40)29(44)33(4,16-38)28(32)20(39)14-35(23,34)6/h7,17-18,20-30,37-44H,8-16H2,1-6H3/t17-,18+,20-,21-,22-,23-,24+,25-,26+,27-,28-,29+,30+,32-,33+,34-,35-,36+/m1/s1 |
| InChIKey | MGNZHYLGGAJONB-SOSDYORXSA-N |
| Roles Classification |
|---|
| 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) |
| 2α,3β,6β,23α-tetrahydroxyurs-12-en-28-oic acid 28-O-β-D-glucoside (CHEBI:234053) has functional parent madecassic acid (CHEBI:73058) |
| 2α,3β,6β,23α-tetrahydroxyurs-12-en-28-oic acid 28-O-β-D-glucoside (CHEBI:234053) is a carboxylic ester (CHEBI:33308) |
| 2α,3β,6β,23α-tetrahydroxyurs-12-en-28-oic acid 28-O-β-D-glucoside (CHEBI:234053) is a monosaccharide derivative (CHEBI:63367) |
| 2α,3β,6β,23α-tetrahydroxyurs-12-en-28-oic acid 28-O-β-D-glucoside (CHEBI:234053) is a pentacyclic triterpenoid (CHEBI:25872) |
| 2α,3β,6β,23α-tetrahydroxyurs-12-en-28-oic acid 28-O-β-D-glucoside (CHEBI:234053) is a triterpenoid saponin (CHEBI:61778) |
| 2α,3β,6β,23α-tetrahydroxyurs-12-en-28-oic acid 28-O-β-D-glucoside (CHEBI:234053) is a β-D-glucoside (CHEBI:22798) |
| UniProt Name | Source |
|---|---|
| madecassic acid 28-O-β-D-glucoside | UniProt |
| Citations |
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