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Apigenin-7-neohesperidoside (Rhoifolin)

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003719

Dataset description:

This MassBank record with Accession MSBNK-BS-BS003719 contains the MS2 mass spectrum of Apigenin-7-neohesperidoside (Rhoifolin) with the InChIkey RPMNUQRUHXIGHK-PYXJVEIZSA-N.

Source: Apigenin-7-neohesperidoside (Rhoifolin)

Chemical Info

molecular Image

InChI	InChI=1S/C27H30O14/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/h2-8,10,18,20-30,32-36H,9H2,1H3/t10-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1
SMILES	C([C@@]1([H])[C@@]([H])([C@]([H])([C@]([H])([C@@]([H])(O1)O[C@]2([H])[C@]([H])([C@@]([H])([C@]([H])(O[C@@]2([H])OC3=C(C(=C4C(=C3[H])OC(=C(C4=O)[H])C5=C(C(=C(C(=C5[H])[H])O[H])[H])[H])O[H])[H])C(O[H])([H])[H])O[H])O[H])O[H])O[H])O[H])([H])([H])[H]
InChI Key	RPMNUQRUHXIGHK-PYXJVEIZSA-N
Molecular Formula	C27H30O14
Exact Mass	578.164 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	212ba344-db80-4b49-aed4-f7e62d72b804
Package id	msbnk-bs-bs003719
Resource type	HTML
State	active