Dataset

Subsessiline

This MassBank record with Accession MSBNK-RIKEN-PR304687 contains the MS2 mass spectrum of Subsessiline with the InChIkey RZBFPDQKWUWUCK-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C43H48N4O6/c1-49-29-9-5-7-27-31(29)47-23-40-21-24-20-38-13-18-51-30(38)10-15-45-16-12-42(27,35(38)45)43(24,47)53-37(40)46-17-11-41-26-6-3-4-8-28(26)44-32(41)25(33(48)50-2)22-39(34(41)46)14-19-52-36(39)40/h3-9,24,30,34-37,44H,10-23H2,1-2H3
SMILES COC(=O)C1=C2NC3=CC=CC=C3C22CCN3C2C2(CCOC2C24CC5CC67CCOC6CCN6CCC8(C76)C6=C(N(C2)C58OC34)C(OC)=CC=C6)C1
InChI Key RZBFPDQKWUWUCK-UHFFFAOYSA-N
Molecular Formula C43H48N4O6
Exact Mass 716.879 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-PR304687
Version
Author
Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • methyl 26-methoxy-3,22,38-trioxa-10,20,24,34-tetrazatetradecacyclo[22.20.1.16,17.131,34.01,21.02,6.09,17.011,16.023,31.023,43.025,30.037,41.020,47.041,46]heptatetraconta-8,11,13,15,25(30),26,28-heptaene-8-carboxylate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    182033 PubChem
    181316 ChEBI
    The data in this table is sourced from UniChem at EBI.