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Anabaenopeptin NZ857

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ435901

Dataset description:

This MassBank record with Accession MSBNK-Eawag-EQ435901 contains the MS2 mass spectrum of Anabaenopeptin NZ857 with the InChIkey HRGWILAIPXJBIB-UHFFFAOYSA-N.

Source: Anabaenopeptin NZ857

Chemical Info

molecular Image

InChI	InChI=1S/C45H59N7O10/c1-4-28(2)39-42(58)48-36(24-18-30-15-21-33(54)22-16-30)43(59)52(3)27-38(55)47-35(23-17-29-13-19-32(53)20-14-29)40(56)46-25-9-8-12-34(41(57)51-39)49-45(62)50-37(44(60)61)26-31-10-6-5-7-11-31/h5-7,10-11,13-16,19-22,28,34-37,39,53-54H,4,8-9,12,17-18,23-27H2,1-3H3,(H,46,56)(H,47,55)(H,48,58)(H,51,57)(H,60,61)(H2,49,50,62)
SMILES	CCC(C)C1C(=O)NC(C(=O)N(CC(=O)NC(C(=O)NCCCCC(C(=O)N1)NC(=O)NC(CC2=CC=CC=C2)C(=O)O)CCC3=CC=C(C=C3)O)C)CCC4=CC=C(C=C4)O
InChI Key	HRGWILAIPXJBIB-UHFFFAOYSA-N
Molecular Formula	C45H59N7O10
Exact Mass	857.432 g/mol

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Additional Information

Field	Value
Data last updated	January 11, 2024
Metadata last updated	January 11, 2024
Created	January 11, 2024
Format	HTML
License	Attribution-ShareAlike 4.0 International (CC BY-SA 4.0)
Id	c83ac39e-f2b2-4bb3-becd-91be074f590f
Package id	msbnk-eawag-eq435901
Resource type	HTML
State	active