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Naringin

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML01179

Dataset description:

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01179 contains the MS2 mass spectrum of Naringin with the InChIkey DFPMSGMNTNDNHN-ZPHOTFPESA-N.

Source: Naringin

Chemical Info

molecular Image

InChI	InChI=1S/C27H32O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1
SMILES	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O
InChI Key	DFPMSGMNTNDNHN-ZPHOTFPESA-N
Molecular Formula	C27H32O14
Exact Mass	580.179 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	8b9e1e25-6526-4fab-8eb2-2df57e38154e
Package id	msbnk-washington_state_univ-bml01179
Resource type	HTML
State	active