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Spiraeoside

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003312

Dataset description:

This MassBank record with Accession MSBNK-BS-BS003312 contains the MS2 mass spectrum of Spiraeoside with the InChIkey OIUBYZLTFSLSBY-HMGRVEAOSA-N.

Source: Spiraeoside

Chemical Info

molecular Image

InChI	InChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)32-11-2-1-7(3-9(11)24)20-18(29)16(27)14-10(25)4-8(23)5-12(14)31-20/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21-/m1/s1
SMILES	C1(=C(C(=C(C(=C1C2=C(C(=O)C3=C(C(=C(C(=C3O2)[H])O[H])[H])O[H])O[H])[H])O[H])O[C@@]4([H])[C@@]([H])([C@]([H])([C@@]([H])([C@]([H])(O4)C(O[H])([H])[H])O[H])O[H])O[H])[H])[H]
InChI Key	OIUBYZLTFSLSBY-HMGRVEAOSA-N
Molecular Formula	C21H20O12
Exact Mass	464.096 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	4d7a6126-eb80-4668-af8c-b6a98fbcb557
Package id	msbnk-bs-bs003312
Resource type	HTML
State	active