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Orientin

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003372

Dataset description:

This MassBank record with Accession MSBNK-BS-BS003372 contains the MS2 mass spectrum of Orientin with the InChIkey PLAPMLGJVGLZOV-VPRICQMDSA-N.

Source: Orientin

Chemical Info

molecular Image

InChI	InChI=1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2/t14-,17-,18+,19-,21+/m1/s1
SMILES	C1(=C(C(=C(C(=C1C2=C(C(=O)C3=C(O2)C(=C(C(=C3O[H])[H])O[H])[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])O[H])O[H])[H])[H]
InChI Key	PLAPMLGJVGLZOV-VPRICQMDSA-N
Molecular Formula	C21H20O11
Exact Mass	448.101 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	400dffd8-03f7-4c9c-b5aa-42ba23f2e6d1
Package id	msbnk-bs-bs003372
Resource type	HTML
State	active