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CHEBI:47658 - C-1027 AROMATIZED CHROMOPHORE

Default Structure
ChEBI IDCHEBI:47658
ChEBI NameC-1027 AROMATIZED CHROMOPHORE
Stars
DownloadsMolfile
FormulaC43H45ClN3O13
Net Charge+1
Average Mass847.294
Monoisotopic Mass846.26354
SMILES[H]Oc1c([H])c2c([H])c(Cl)c1O[C@]1([H])c3c([H])c([H])c(c([H])c3C3=C([H])C([H])=C([H])[C@@]31O[C@]1([H])OC(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(N(C([H])([H])[H])C([H])([H])[H])[C@@]([H])(O[H])[C@@]1([H])O[H])[C@@]([H])(OC(=O)c1c([H])c(OC([H])([H])[H])c([H])c3c1N([H])C(=O)C(=C([H])[H])O3)C([H])([H])OC(=O)C([H])([H])[C@]2([H])[N+]([H])([H])[H]
InChIInChI=1S/C43H44ClN3O13/c1-19-39(52)46-33-25(15-22(54-6)16-30(33)56-19)40(53)57-31-18-55-32(49)17-28(45)21-13-27(44)36(29(48)14-21)58-38-23-10-9-20(31)12-24(23)26-8-7-11-43(26,38)60-41-35(51)34(50)37(47(4)5)42(2,3)59-41/h7-16,28,31,34-35,37-38,41,48,50-51H,1,17-18,45H2,2-6H3,(H,46,52)/p+1/t28-,31-,34-,35+,37-,38+,41-,43+/m0/s1
InChIKeySAWXMTQYIIZWNU-RGEBLUSTSA-O
ChEBI Ontology
Outgoing Relation(s)
C-1027 AROMATIZED CHROMOPHORE (CHEBI:47658) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(6S,11R,18aR,18bR)-21-chloro-18a-{[4,6-dideoxy-4-(dimethylamino)-5-methyl-beta-D-allopyranosyl]oxy}-3-hydroxy-11-{[(7-methoxy-2-methylidene-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-5-yl)carbonyl]oxy}-8-oxo-7,8,10,11,18a,18b-hexahydro-6H-2,5-etheno-12,15-(metheno)pentaleno[1,2-b][1,9]dioxacyclohexadecin-6-aminiumPDBeChem
C-1027 AROMATIZED CHROMOPHOREPDBeChem
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