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Hesperetin-7-O-rutinoside

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR306546

Dataset description:

This MassBank record with Accession MSBNK-RIKEN-PR306546 contains the MS2 mass spectrum of Hesperetin-7-O-rutinoside with the InChIkey QUQPHWDTPGMPEX-QJBIFVCTSA-N.

Source: Hesperetin-7-O-rutinoside

Chemical Info

molecular Image

InChI	InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1
SMILES	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O
InChI Key	QUQPHWDTPGMPEX-QJBIFVCTSA-N
Molecular Formula	C28H34O15
Exact Mass	610.190 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	b5304451-2081-4f1c-ae1a-e50e8af0b379
Package id	msbnk-riken-pr306546
Resource type	HTML
State	active