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Rutin

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003076

Dataset description:

This MassBank record with Accession MSBNK-BS-BS003076 contains the MS2 mass spectrum of Rutin with the InChIkey IKGXIBQEEMLURG-NVPNHPEKSA-N.

Source: Rutin

Chemical Info

molecular Image

InChI	InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1
SMILES	C([C@@]1([H])[C@@]([H])([C@]([H])([C@]([H])([C@@]([H])(O1)OC([C@]2([H])[C@]([H])([C@@]([H])([C@]([H])([C@@]([H])(O2)OC3=C(OC4=C(C(=C(C(=C4C3=O)O[H])[H])O[H])[H])C5=C(C(=C(C(=C5[H])[H])O[H])O[H])[H])O[H])O[H])O[H])([H])[H])O[H])O[H])O[H])([H])([H])[H]
InChI Key	IKGXIBQEEMLURG-NVPNHPEKSA-N
Molecular Formula	C27H30O16
Exact Mass	610.153 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	142f3635-bcea-4c90-a2b8-2fdaff7443c2
Package id	msbnk-bs-bs003076
Resource type	HTML
State	active