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loading...| Preferred Name |
Cephalomannine |
|
| Synonyms |
Cephalomannine Taxol B |
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| ID |
http://purl.obolibrary.org/obo/CHEBI_3536 |
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| charge |
0 |
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| database_cross_reference |
CAS:71610-00-9 KEGG:C10579 KNApSAcK:C00002323 |
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| formula |
C45H53NO14 |
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| has_exact_synonym |
Cephalomannine |
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| has_obo_namespace |
chebi_ontology |
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| has_related_synonym |
Taxol B |
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| id |
CHEBI:3536 |
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| in_subset | ||
| inchi |
InChI=1S/C45H53NO14/c1-9-23(2)39(52)46-33(27-16-12-10-13-17-27)34(50)41(54)58-29-21-45(55)38(59-40(53)28-18-14-11-15-19-28)36-43(8,30(49)20-31-44(36,22-56-31)60-26(5)48)37(51)35(57-25(4)47)32(24(29)3)42(45,6)7/h9-19,29-31,33-36,38,49-50,55H,20-22H2,1-8H3,(H,46,52)/b23-9+/t29-,30-,31+,33-,34+,35+,36?,38-,43+,44-,45+/m0/s1 |
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| inchikey |
DBXFAPJCZABTDR-UJLUYDJNSA-N |
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| label |
Cephalomannine |
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| mass |
831.902 |
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| monoisotopicmass |
831.34661 |
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| notation |
CHEBI:3536 |
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| prefLabel |
Cephalomannine |
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| smiles |
C\C=C(/C)C(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)C3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)OC(C)=O)c1ccccc1 |
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| treeView | ||
| subClassOf |
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