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Sissotrin

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003326

Dataset description:

This MassBank record with Accession MSBNK-BS-BS003326 contains the MS2 mass spectrum of Sissotrin with the InChIkey LFEUICHQZGNOHD-RECXWPGBSA-N.

Source: Sissotrin

Chemical Info

molecular Image

InChI	InChI=1S/C22H22O10/c1-29-11-4-2-10(3-5-11)13-9-30-15-7-12(6-14(24)17(15)18(13)25)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3/t16-,19-,20+,21-,22-/m1/s1
SMILES	O=C1C=2C(O[H])=C(C(O[C@]3([H])O[C@@]([H])([C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])C(O[H])([H])[H])=C(C2OC(=C1C=4C(=C(C(OC([H])([H])[H])=C(C4[H])[H])[H])[H])[H])[H])[H]
InChI Key	LFEUICHQZGNOHD-RECXWPGBSA-N
Molecular Formula	C22H22O10
Exact Mass	446.121 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	66f54caa-a7d7-4e0c-b38b-c68751809b19
Package id	msbnk-bs-bs003326
Resource type	HTML
State	active