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Tiliroside

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003231

Dataset description:

This MassBank record with Accession MSBNK-BS-BS003231 contains the MS2 mass spectrum of Tiliroside with the InChIkey DVGGLGXQSFURLP-VWMSDXGPSA-N.

Source: Tiliroside

Chemical Info

molecular Image

InChI	InChI=1S/C30H26O13/c31-16-6-1-14(2-7-16)3-10-22(35)40-13-21-24(36)26(38)27(39)30(42-21)43-29-25(37)23-19(34)11-18(33)12-20(23)41-28(29)15-4-8-17(32)9-5-15/h1-12,21,24,26-27,30-34,36,38-39H,13H2/b10-3+/t21-,24-,26+,27-,30+/m1/s1
SMILES	C1(=C(C(=C(C(=C1/C(=C(/C(=O)OC([C@]2([H])[C@]([H])([C@@]([H])([C@]([H])([C@@]([H])(O2)OC3=C(OC4=C(C(=C(C(=C4C3=O)O[H])[H])O[H])[H])C5=C(C(=C(C(=C5[H])[H])O[H])[H])[H])O[H])O[H])O[H])([H])[H])\[H])/[H])[H])[H])O[H])[H])[H]
InChI Key	DVGGLGXQSFURLP-VWMSDXGPSA-N
Molecular Formula	C30H26O13
Exact Mass	594.137 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	2c86a954-3fa4-4ef0-90ae-6e3150173110
Package id	msbnk-bs-bs003231
Resource type	HTML
State	active