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Dihydrohesperetin-7-O-neohesperidoside

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR302939

Dataset description:

This MassBank record with Accession MSBNK-RIKEN-PR302939 contains the MS2 mass spectrum of Dihydrohesperetin-7-O-neohesperidoside with the InChIkey ITVGXXMINPYUHD-CUVHLRMHSA-N.

Source: Dihydrohesperetin-7-O-neohesperidoside

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/t11-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1
SMILES	COC1=C(O)C=C(CCC(=O)C2=C(O)C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)C=C2O)C=C1
InChI Key	ITVGXXMINPYUHD-CUVHLRMHSA-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-ShareAlike 4.0 International (CC BY-NC-SA 4.0)
Id	a5a804b8-ba12-4c9b-945e-4962a103e0f4
Package id	msbnk-riken-pr302939
Resource type	HTML
State	active