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Apigenin-6-C-glucoside-7-O-glucoside

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR302844

Dataset description:

This MassBank record with Accession MSBNK-RIKEN-PR302844 contains the MS2 mass spectrum of Apigenin-6-C-glucoside-7-O-glucoside with the InChIkey HGUVPEBGCAVWID-KETMJRJWSA-N.

Source: Apigenin-6-C-glucoside-7-O-glucoside

Chemical Info

molecular Image

InChI	InChI=1S/C27H30O15/c28-7-15-19(32)22(35)24(37)26(40-15)18-14(41-27-25(38)23(36)20(33)16(8-29)42-27)6-13-17(21(18)34)11(31)5-12(39-13)9-1-3-10(30)4-2-9/h1-6,15-16,19-20,22-30,32-38H,7-8H2/t15-,16-,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1
SMILES	OC[C@H]1O[C@@H](OC2=C([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O
InChI Key	HGUVPEBGCAVWID-KETMJRJWSA-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	9cb66862-bd80-4e32-887d-d9382f9563f7
Package id	msbnk-riken-pr302844
Resource type	HTML
State	active