Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C79H56N8O5/c1-79(2,3)92-77(88)61(81-78(89)90-46-60-49-26-6-4-24-47(49)48-25-5-7-27-50(48)60)44-70-82-83-76(91-70)71-72(84-62-36-16-8-28-51(62)52-29-9-17-37-63(52)84)59(45-80)73(85-64-38-18-10-30-53(64)54-31-11-19-39-65(54)85)75(87-68-42-22-14-34-57(68)58-35-15-23-43-69(58)87)74(71)86-66-40-20-12-32-55(66)56-33-13-21-41-67(56)86/h4-43,60-61H,44,46H2,1-3H3,(H,81,89)
SMILES	N#Cc1c(n2c3ccccc3c3c2cccc3)c(c2nnc(o2)C[C@@H](C(=O)OC(C)(C)C)NC(=O)OCC2c3ccccc3-c3c2cccc3)c(c(c1n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2
InChI Key	CNOUBQRDWLQFIY-WMNDHARXSA-N
Molecular Formula	C79H56N8O5
Exact Mass	1197.341 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/CNOUBQRDWLQFIY-WMNDHARXSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/CNOUBQRDWLQFIY-WMNDHARXSA-N/CHMO0000470
Version
Author	Fabian Hundemer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:57:25.060633
MetadataModified	2024-09-07T16:20:57.735800
MetadataPublished	2020-01-10

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
145721702	PubChem
The data in this table is sourced from UniChem at EBI.