(Q105117579)

English

psoralenol

group of stereoisomers with the chemical formula C₂₀H₁₈O₅

In more languages

Statements

group of stereoisomers

0 references

3'C-substituted isoflavone

2 references

3'C-substituted isoflavone

based on heuristic

inferred from SMILES

0 references

338.115423676 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₁₈O₅

0 references

canonical SMILES

O=C1C2=CC=C(O)C=C2OC=C1C=3C=CC=4OC(C)(C)C(O)CC4C3

0 references

Cullen corylifolia

1 reference

Characterization of Compounds in Psoralea corylifolia Using High-Performance Liquid Chromatography Diode Array Detection, Time-of-Flight Mass Spectrometry and Quadrupole Ion Trap Mass Spectrometry

Cullen corylifolium

1 reference

Characterization of Compounds in Psoralea corylifolia Using High-Performance Liquid Chromatography Diode Array Detection, Time-of-Flight Mass Spectrometry and Quadrupole Ion Trap Mass Spectrometry

Identifiers

InChI=1S/C20H18O5/c1-20(2)18(22)8-12-7-11(3-6-16(12)25-20)15-10-24-17-9-13(21)4-5-14(17)19(15)23/h3-7,9-10,18,21-22H,8H2,1-2H3

0 references

IPXXMSXJVCGTCG-UHFFFAOYSA-N

0 references

2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

IPXXMSXJVCGTCG-UHFFFAOYSA-N

mapping relation type

2 references

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI=1S/C20H18O5/c1-20(2)18(22)8-12-7-11(3-6-16(12)25-20)15-10-24-17-9-13(21)4-5-14(17)19(15)23/h3-7,9-10,18,21-22H,8H2,1-2H3

UniChem compound ID

1 reference

1 reference

IPXXMSXJVCGTCG-UHFFFAOYSA-N

17 April 2021

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

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