(Q125617913)

English

INJDTXLAMCHENX-WUKNDPDISA-N

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

1,185.6155695520001 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₅₆H₉₁N₅O₂₂

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canonical SMILES

O=C(O)C1N(C(=O)C(N(C)CC1OC(=O)CC(OC(=O)CC(C)CC(=O)OC2OC(C)C(OC)C(OC)C2OC)CCCCCCC=CCCCCCCCC)C(OC3OC(CN)C(O)C3O)C4OC(N5C=CC(=O)NC5=O)C(O)C4O)C

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isomeric SMILES

CCCCCCCC/C=C/CCCCCCC(CC(=O)OC1CN(C)C(C(OC2OC(CN)C(O)C2O)C2OC(n3ccc(O)nc3=O)C(O)C2O)C(=O)N(C)C1C(=O)O)OC(=O)CC(C)CC(=O)OC1OC(C)C(OC)C(OC)C1OC

1 reference

1 reference

Identification and structural elucidation of new caprazamycins from Streptomyces sp. MK730-62F2 by liquid chromatography/electrospray ionization tandem mass spectrometry

Identifiers

InChI

InChI=1S/C56H91N5O22/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(78-37(63)26-31(2)27-38(64)81-55-50(76-8)49(75-7)46(74-6)32(3)77-55)28-39(65)79-35-30-59(4)41(51(70)60(5)40(35)53(71)72)47(83-54-45(69)42(66)34(29-57)80-54)48-43(67)44(68)52(82-48)61-25-24-36(62)58-56(61)73/h16-17,24-25,31-35,40-50,52,54-55,66-69H,9-15,18-23,26-30,57H2,1-8H3,(H,71,72)(H,58,62,73)/b17-16+

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InChIKey

INJDTXLAMCHENX-WUKNDPDISA-N

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(Q125617913)

INJDTXLAMCHENX-WUKNDPDISA-N

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