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Glabrol, 4H-1-Benzopyran-4-one,...

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PM019130

Dataset description:

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PM019130 contains the MS2 mass spectrum of Glabrol, 4H-1-Benzopyran-4-one,...

Source: Glabrol, 4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-8-(3-methyl-2-buten-1-yl)-, (2S)-

Chemical Info

molecular Image

InChI	InChI=1S/C25H28O4/c1-15(2)5-7-17-13-18(8-11-21(17)26)24-14-23(28)20-10-12-22(27)19(25(20)29-24)9-6-16(3)4/h5-6,8,10-13,24,26-27H,7,9,14H2,1-4H3/t24-/m0/s1
SMILES	CC(C)=CCc1cc([C@@H]2CC(=O)c3ccc(O)c(CC=C(C)C)c3O2)ccc1O
InChI Key	CUFAXDWQDQQKFF-DEOSSOPVSA-N
Molecular Formula	C25H28O4
Exact Mass	392.495 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 4.0 International (CC BY-NC 4.0)
Id	5fb6f7ca-69fa-4017-bff4-880ad4f84441
Package id	msbnk-riken_respect-pm019130
Resource type	HTML
State	active