Go to resource

Sissotrin

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003321

Dataset description:

This MassBank record with Accession MSBNK-BS-BS003321 contains the MS 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

There are no views created for this resource yet.

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	799be944-106a-4b46-ab7d-e7dd00625701
Package id	msbnk-bs-bs003321
Resource type	HTML
State	active