loading...| Preferred Name |
granaticin |
| Synonyms |
Litomycin Litmomycin granaticin Granaticin A (1R,7S,11S,19S,20R,23R)-3,17,19,23-tetrahydroxy-13,20-dimethyl-8,12,21-trioxahexacyclo[17.2.2.0(2,18).0(4,16).0(6,14).0(7,11)]tricosa-2(18),3,6(14),16-tetraene-5,9,15-trione Granatomycin C Granaticin (3aS,8S,9R,13bS,15R)-7,8,12,15-tetrahydroxy-5,9-dimethyl-3,3a,5,8,11,13b-hexahydro-8,11-ethanofuro[3,2-b]pyrano[4',3':6,7]naphtho[2,3-d]pyran-2,6,13(9H)-trione |
| ID |
http://purl.obolibrary.org/obo/CHEBI_5533 |
| charge |
0 |
| database_cross_reference |
CAS:19879-06-2 KNApSAcK:C00018030 KEGG:C06799 |
| formula |
C22H20O10 |
| has role | |
| has_exact_synonym |
granaticin Granaticin (3aS,8S,9R,13bS,15R)-7,8,12,15-tetrahydroxy-5,9-dimethyl-3,3a,5,8,11,13b-hexahydro-8,11-ethanofuro[3,2-b]pyrano[4',3':6,7]naphtho[2,3-d]pyran-2,6,13(9H)-trione |
| has_obo_namespace |
chebi_ontology |
| has_related_synonym |
Litomycin Litmomycin Granaticin A (1R,7S,11S,19S,20R,23R)-3,17,19,23-tetrahydroxy-13,20-dimethyl-8,12,21-trioxahexacyclo[17.2.2.0(2,18).0(4,16).0(6,14).0(7,11)]tricosa-2(18),3,6(14),16-tetraene-5,9,15-trione Granatomycin C |
| id |
CHEBI:5533 |
| in_subset | |
| inchi |
InChI=1S/C22H20O10/c1-5-11-15(21-8(30-5)4-10(24)32-21)19(27)13-14(17(11)25)20(28)16-12(18(13)26)7-3-9(23)22(16,29)6(2)31-7/h5-9,21,23,26,28-29H,3-4H2,1-2H3/t5?,6-,7-,8+,9-,21-,22-/m1/s1 |
| inchikey |
QBQXQYSJPWXZJL-NWVAQQJZSA-N |
| label |
granaticin |
| mass |
444.38820 |
| monoisotopicmass |
444.106 |
| notation |
CHEBI:5533 |
| prefLabel |
granaticin |
| smiles |
[H][C@]12C[C@@H](O)[C@](O)([C@@H](C)O1)c1c(O)c3C(=O)C4=C(C(=O)c3c(O)c21)[C@]1([H])OC(=O)C[C@]1([H])OC4C |
| treeView | |
| subClassOf |
| Delete | Mapping To | Ontology | Source |
|---|---|---|---|
| http://purl.bioontology.org/ontology/MESH/C009811 | Medical Subject Headings | LOOM |