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Ontologies
CHEBI
| ID | http://purl.obolibrary.org/obo/CHEBI_189945
http://purl.obolibrary.org/obo/CHEBI_189945
https://biodivportal.gfbio.org/ontologies/CHEBI/CHEBI_189945
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|---|---|
| Preferred name | Melongoside O |
| Synonyms |
2-[4-[16-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
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Raw data
| rdf:type | |
|---|---|
| rdfs:subClassOf | |
| rdfs:label | Melongoside O
|
| obo_purl:charge | 0
|
| obo_purl:formula | C45H74O19
|
| obo_purl:inchi | InChI=1S/C45H74O19/c1-19(18-58-40-36(54)34(52)31(49)27(15-46)60-40)7-12-45(57)20(2)30-26(64-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)59-42-38(56)39(33(51)29(17-48)62-42)63-41-37(55)35(53)32(50)28(16-47)61-41/h5,19-20,22-42,46-57H,6-18H2,1-4H3
|
| obo_purl:inchikey | BEYZWBAAOITTJU-UHFFFAOYSA-N
|
| obo_purl:mass | 919.068
|
| obo_purl:monoisotopicmass | 918.48243
|
| obo_purl:smiles | O1C2C(C3(C(C4C(CC3)C5(C(=CC4)CC(OC6OC(C(O)C(OC7OC(C(O)C(O)C7O)CO)C6O)CO)CC5)C)C2)C)C(C1(O)CCC(COC8OC(C(O)C(O)C8O)CO)C)C
|
| oboinowl_gen:hasExactSynonym | 2-[4-[16-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
| oboinowl_gen:hasDbXref | HMDB:HMDB0030040
|
| oboinowl_gen:hasOBONamespace | chebi_ontology
|
| oboinowl_gen:id | CHEBI:189945
|
| skos:notation | CHEBI:189945
|
| oboinowl_gen:inSubset | |