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loading...| Preferred Name |
Asebotin |
| Synonyms |
1-[2-hydroxy-4-methoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)propan-1-one |
| ID |
http://purl.obolibrary.org/obo/CHEBI_179169 |
| charge |
0 |
| database_cross_reference |
Chemspider:9365239 |
| formula |
C22H26O10 |
| has_exact_synonym |
1-[2-hydroxy-4-methoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)propan-1-one |
| has_obo_namespace |
chebi_ontology |
| id |
CHEBI:179169 |
| in_subset | |
| inchi |
InChI=1S/C22H26O10/c1-30-13-8-15(26)18(14(25)7-4-11-2-5-12(24)6-3-11)16(9-13)31-22-21(29)20(28)19(27)17(10-23)32-22/h2-3,5-6,8-9,17,19-24,26-29H,4,7,10H2,1H3/t17-,19-,20+,21-,22-/m1/s1 |
| inchikey |
PQCIBORQLVRFMR-MIUGBVLSSA-N |
| label |
Asebotin |
| mass |
450.440 |
| monoisotopicmass |
450.15260 |
| notation |
CHEBI:179169 |
| prefLabel |
Asebotin |
| smiles |
O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C(C(=O)CCC3=CC=C(O)C=C3)=C(O)C=C(OC)C2)CO |
| treeView | |
| subClassOf |
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| Delete | Mapping To | Ontology | Source |
|---|---|---|---|
| http://purl.bioontology.org/ontology/MESH/C002548 | Medical Subject Headings / 医学主题词表 | LOOM |