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Saponarin

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003666

Dataset description:

This MassBank record with Accession MSBNK-BS-BS003666 contains the MS2 mass spectrum of Saponarin with the InChIkey HGUVPEBGCAVWID-KETMJRJWSA-N.

Source: Saponarin

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	C1(=C(C(=C(C(=C1C2=C(C(=O)C3=C(C(=C(C(=C3O2)[H])OC4(C(C(C(C(O4)(C(O[H])([H])[H])[H])(O[H])[H])(O[H])[H])(O[H])[H])[H])C5(C(C(C(C(O5)(C(O[H])([H])[H])[H])(O[H])[H])(O[H])[H])(O[H])[H])[H])O[H])[H])[H])[H])O[H])[H])[H]
InChI Key	HGUVPEBGCAVWID-KETMJRJWSA-N
Molecular Formula	C27H30O15
Exact Mass	594.159 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	8667fd99-b82e-4957-a564-a66f4d454955
Package id	msbnk-bs-bs003666
Resource type	HTML
State	active