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7-O-(2'-Feruloylglucuronyl)-(1-2)-glucuronyl...

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS001100

Dataset description:

This MassBank record with Accession MSBNK-BS-BS001100 contains the MS mass spectrum of 7-O-(2'-Feruloylglucuronyl)-(1-2)-glucuronyl Apigenin (NMR) with the InChIkey...

Source: 7-O-(2'-Feruloylglucuronyl)-(1-2)-glucuronyl Apigenin (NMR)

Chemical Info

molecular Image

InChI	InChI=1S/C37H34O20/c1-51-22-10-14(2-8-18(22)39)3-9-24(42)54-32-28(45)26(43)31(35(49)50)56-37(32)57-33-29(46)27(44)30(34(47)48)55-36(33)52-17-11-19(40)25-20(41)13-21(53-23(25)12-17)15-4-6-16(38)7-5-15/h2-13,26-33,36-40,43-46H,1H3,(H,47,48)(H,49,50)/b9-3+/t26-,27-,28-,29-,30-,31-,32+,33+,36+,37-/m0/s1
SMILES	O=C1C2=C(OC(=C1)C3=CC=C(C=C3)O)C=C(C=C2O)O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)OC(/C=C/C6=CC=C(C(OC)=C6)O)=O)O)O)C(O)=O
InChI Key	TVHAXOXLQDESPI-OJBICJBZSA-N
Molecular Formula	C37H34O20
Exact Mass	798.164 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	45c926e3-fabb-4d2e-901b-0f31d03b28e1
Package id	msbnk-bs-bs001100
Resource type	HTML
State	active