Dataset

high-performance liquid chromatography (HPLC)

Chemical Info

InChI	InChI=1S/C59H63N35O21/c95-45-66-13-68-34-35-72(47(68)97)17-76-38-39-80(51(76)101)21-84-42-43-88(55(84)105)25-92-57(107)90-23-86-41-40-82(53(86)103)19-78-37-36-74(49(78)99)15-70(45)33-32(66)67-14-69(34)48(98)73(35)18-77(38)52(102)81(39)22-85(42)56(106)89(43)26-93-58(108)91(24-87(41)54(104)83(40)20-79(37)50(100)75(36)16-71(33)46(67)96)44(90)59(92,93)114-12-27-11-65(64-61-27)4-6-112-8-10-113-9-7-111-5-3-60-28-1-2-29(94(109)110)31-30(28)62-115-63-31/h1-2,11,32-44,60H,3-10,12-26H2
SMILES	O=C1N2CN3C4N5CN6C2C2(N1CN1C7N(CN2C6=O)C(=O)N2C7N(C1=O)CN1C6N(C2)C(=O)N2C6N(C1=O)CN1C6N(C2)C(=O)N2C6N(C1=O)CN1C(=O)N6CN7C(=O)N8CN(C3=O)C4N(C5=O)CN3C8C7N(C3=O)CN3C6C1N(C3=O)C2)OCc1nnn(c1)CCOCCOCCOCCNc1ccc(c2c1non2)[N+](=O)[O-]
InChI Key	ICDIQORYLKODSX-UHFFFAOYSA-N
Molecular Formula	C59H63N35O21
Exact Mass	1598.353 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/ICDIQORYLKODSX-UHFFFAOYSA-N/CHMO0001009
License URL
Source	https://www.chemotion-repository.net/inchikey/ICDIQORYLKODSX-UHFFFAOYSA-N/CHMO0001009
Version
Author	Changming Hu
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:43:33.872416
MetadataModified	2024-09-07T22:17:52.900450
MetadataPublished	2022-04-28

Field	Value
Measurement Technique	high-performance liquid chromatography
Measurement Variables

Data-Source Molecule ID	Data-Source
163197225	PubChem
The data in this table is sourced from UniChem at EBI.