(Q105274981)

English

UKZCPYJTHXIGBQ-XFXZXTDPSA-N

group of stereoisomers with the chemical formula C₃₅H₆₂N₁₀O₁₄

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

846.444696664 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₆₂N₁₀O₁₄

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canonical SMILES

CCCCCCCC=CC(=O)NC(CCCNC(N)=O)C(=O)NC(CO)C(=O)NC(CCNC(=O)C(N)C(C)O)C(=O)NC(C(=O)NC(CO)CC(N)=O)C(O)C(=O)O

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isomeric SMILES

CCCCCCC/C=C\C(=O)NC(CCCNC(N)=O)C(=O)NC(CO)C(=O)NC(CCNC(=O)C(N)C(C)O)C(=O)NC(C(=O)NC(CO)CC(N)=O)C(O)C(=O)O

1 reference

1 reference

Structural Elucidation of Rotihibin B by Tandem Mass Spectrometry.

Identifiers

InChI

InChI=1S/C35H62N10O14/c1-3-4-5-6-7-8-9-12-25(50)42-21(11-10-14-40-35(38)59)29(52)44-23(18-47)31(54)43-22(13-15-39-32(55)26(37)19(2)48)30(53)45-27(28(51)34(57)58)33(56)41-20(17-46)16-24(36)49/h9,12,19-23,26-28,46-48,51H,3-8,10-11,13-18,37H2,1-2H3,(H2,36,49)(H,39,55)(H,41,56)(H,42,50)(H,43,54)(H,44,52)(H,45,53)(H,57,58)(H3,38,40,59)/b12-9-

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InChIKey

UKZCPYJTHXIGBQ-XFXZXTDPSA-N

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(Q105274981)

UKZCPYJTHXIGBQ-XFXZXTDPSA-N

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