Dataset

NP-006989(12)

This MassBank record with Accession MSBNK-RIKEN-PR303403 contains the MS2 mass spectrum of NP-006989(12) with the InChIkey ZLPSOQFIIQIIAX-FCSQLNSJSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C27H30O16/c28-5-12-17(33)21(37)23(39)26(42-12)15-19(35)14-10(32)4-11(7-1-2-8(30)9(31)3-7)41-25(14)16(20(15)36)27-24(40)22(38)18(34)13(6-29)43-27/h1-4,12-13,17-18,21-24,26-31,33-40H,5-6H2/t12-,13?,17-,18?,21+,22?,23-,24?,26+,27?/m1/s1
SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=C(O)C(C2OC(CO)C(O)C(O)C2O)=C2OC(=CC(=O)C2=C1O)C1=CC(O)=C(O)C=C1
InChI Key ZLPSOQFIIQIIAX-FCSQLNSJSA-N
Molecular Formula C27H30O16
Exact Mass 610.521 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR303403
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:36:21.112069
MetadataModified 2025-02-09T18:27:45.809043
MetadataPublished 2019-03-28
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
137832354 PubChem
The data in this table is sourced from UniChem at EBI.