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Flavonol base + 3O + O-Hex-dHex

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR310917

Dataset description:

This MassBank record with Accession MSBNK-RIKEN-PR310917 contains the MS2 mass spectrum of Flavonol base + 3O + O-Hex-dHex with the InChIkey RTATXGUCZHCSNG-UHFFFAOYSA-N.

Source: Flavonol base + 3O + O-Hex-dHex

Chemical Info

molecular Image

InChI	InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3
SMILES	CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O)O)O
InChI Key	RTATXGUCZHCSNG-UHFFFAOYSA-N
Molecular Formula	C27H30O15
Exact Mass	594.522 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	5608ddde-92b3-488a-a7db-a47963d72dd5
Package id	msbnk-riken-pr310917
Resource type	HTML
State	active