(Q105113063)

English

Protuboxepin E

group of stereoisomers with the chemical formula C₂₂H₂₃N₃O₃

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Statements

group of stereoisomers

0 references

1 reference

377.173941596 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₃N₃O₃

0 references

canonical SMILES

CCC(C)C1NC(=O)C(Cc2ccccc2)n2c1nc1c(O)cccc1c2=O

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isomeric SMILES

CCC(C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)n2c1nc1c(O)cccc1c2=O

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Penicillium expansum

1 reference

Alkaloids with Cardiovascular Effects from the Marine-Derived Fungus Penicillium expansum Y32.

Identifiers

InChI=1S/C22H23N3O3/c1-3-13(2)18-20-23-19-15(10-7-11-17(19)26)22(28)25(20)16(21(27)24-18)12-14-8-5-4-6-9-14/h4-11,13,16,18,26H,3,12H2,1-2H3,(H,24,27)/t13?,16-,18+/m1/s1

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IHICXZWKNHGSOP-LLJXTTFASA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C22H23N3O3/c1-3-13(2)18-20-23-19-15(10-7-11-17(19)26)22(28)25(20)16(21(27)24-18)12-14-8-5-4-6-9-14/h4-11,13,16,18,26H,3,12H2,1-2H3,(H,24,27)/t13?,16-,18+/m1/s1

UniChem compound ID

1 reference

Natural Product Atlas ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

IHICXZWKNHGSOP-LLJXTTFASA-N

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