Go to resource

Saponarin

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003665

Dataset description:

This MassBank record with Accession MSBNK-BS-BS003665 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

There are no views created for this resource yet.

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	6ff7abd8-2c49-4e02-be9b-00a674cfc712
Package id	msbnk-bs-bs003665
Resource type	HTML
State	active