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dihydrohesperetin-7-O-neohesperidoside,...

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS086102

Dataset description:

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS086102 contains the MS2 mass spectrum of dihydrohesperetin-7-O-neohesperidoside,...

Source: dihydrohesperetin-7-O-neohesperidoside, 3,5-Dihydroxy-4-(3-hydroxy-4-methoxyhydrocinnamoyl)phenyl-2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside, NHDC, Neohesperidin dihydrochalcone, DihyHesp-7-Glc-2pp_Man

Chemical Info

molecular Image

InChI	InChI=1S/C28H36O15/c1-11-21(34)23(36)25(38)27(40-11)43-26-24(37)22(35)19(10-29)42-28(26)41-13-8-16(32)20(17(33)9-13)14(30)5-3-12-4-6-18(39-2)15(31)7-12/h4,6-9,11,19,21-29,31-38H,3,5,10H2,1-2H3
SMILES	CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C(C(=C3)O)C(=O)CCC4=CC(=C(C=C4)OC)O)O)CO)O)O)O)O)O
InChI Key	ITVGXXMINPYUHD-UHFFFAOYSA-N
Molecular Formula	C28H36O15
Exact Mass	612.581 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 4.0 International (CC BY-NC 4.0)
Id	8533d7cb-2c31-4805-9fcc-24bc84665a7b
Package id	msbnk-riken_respect-ps086102
Resource type	HTML
State	active