Dataset

Oxyacanthine; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR301793 contains the MS2 mass spectrum of Oxyacanthine with the InChIkey HGNHIFJNOKGSKI-FICMROCWSA-N.

Chemical Information

molecular Image

InChI	InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)17-23-8-11-30(40)31(18-23)44-26-9-6-22(7-10-26)16-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29?/m1/s1
SMILES	COC1=C2OC3=C4C(CC5=CC=C(OC6=C(O)C=CC(C[C@H]7N(C)CCC(=C1)C7=C2)=C6)C=C5)N(C)CCC4=CC(OC)=C3OC
InChI Key	HGNHIFJNOKGSKI-FICMROCWSA-N
Molecular Formula	C37H40N2O6
Exact Mass	608.735 g/mol

Data and Resources

OxyacanthineHTML

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Related Molecule ⌄

(1R)-20,21,25-trimethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3(36),4,6,9(35),10,12(34),18,20,22(33),24,26,31-dodecaen-6-ol

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-PR301793
Version
Author
Maintainer
Language
MetadataPublished	2019-03-28
Related Molecule	(1R)-20,21,25-trimethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3(36),4,6,9(35),10,12(34),18,20,22(33),24,26,31-dodecaen-6-ol

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL2374739	chembl
90662359	pubchem
The data in this table is sourced from UniChem at EBI.