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4'-O-(GlcA(1-2)GlcA) Apigenin (NMR)

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS001215

Dataset description:

This MassBank record with Accession MSBNK-BS-BS001215 contains the MS2 mass spectrum of 4'-O-(GlcA(1-2)GlcA) Apigenin (NMR) with the InChIkey NZZPSBRODDDVIU-DBFWEQBMSA-N.

Source: 4'-O-(GlcA(1-2)GlcA) Apigenin (NMR)

Chemical Info

molecular Image

InChI	InChI=1S/C27H26O17/c28-9-5-11(29)15-12(30)7-13(41-14(15)6-9)8-1-3-10(4-2-8)40-27-23(19(34)18(33)22(43-27)25(38)39)44-26-20(35)16(31)17(32)21(42-26)24(36)37/h1-7,16-23,26-29,31-35H,(H,36,37)(H,38,39)/t16-,17-,18-,19-,20+,21-,22-,23+,26-,27+/m0/s1
SMILES	C1(=CC(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O[C@@H]4O[C@H](C(=O)O)[C@H]([C@@H]([C@H]4O[C@H]5[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O5)O)O)O)O)O)O)O
InChI Key	NZZPSBRODDDVIU-DBFWEQBMSA-N
Molecular Formula	C27H26O17
Exact Mass	622.117 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-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)
Id	6119380d-7eea-4802-8e41-8d499eb9d857
Package id	msbnk-bs-bs001215
Resource type	HTML
State	active