(Q105028361)

English

(1R,9S,14E)-11-hydroxy-14-(1H-imidazol-5-ylmethylidene)-2-methoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.01,13.03,8]hexadeca-3,5,7-triene-12,15-dione

group of stereoisomers with the chemical formula C₂₃H₂₅N₅O₄

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Statements

instance of

group of stereoisomers

0 references

1 reference

435.19065428 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₂₅N₅O₄

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canonical SMILES

C=CC(C)(C)C12CC(O)C(=O)N3C(=Cc4cnc[nH]4)C(=O)NC31N(OC)c1ccccc12

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isomeric SMILES

C=CC(C)(C)[C@]12CC(O)C(=O)N3/C(=C/c4cnc[nH]4)C(=O)N[C@@]31N(OC)c1ccccc12

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found in taxon

Aspergillus japonicus

1 reference

stated in

Oxaline and neoxaline.

Identifiers

InChI

InChI=1S/C23H25N5O4/c1-5-21(2,3)22-11-18(29)20(31)27-17(10-14-12-24-13-25-14)19(30)26-23(22,27)28(32-4)16-9-7-6-8-15(16)22/h5-10,12-13,18,29H,1,11H2,2-4H3,(H,24,25)(H,26,30)/b17-10+/t18?,22-,23-/m1/s1

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InChIKey

HHLNXXASUKFCCX-VUHGFIBQSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

HHLNXXASUKFCCX-VUHGFIBQSA-N

ChEBI ID

205993

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C23H25N5O4/c1-5-21(2,3)22-11-18(29)20(31)27-17(10-14-12-24-13-25-14)19(30)26-23(22,27)28(32-4)16-9-7-6-8-15(16)22/h5-10,12-13,18,29H,1,11H2,2-4H3,(H,24,25)(H,26,30)/b17-10+/t18?,22-,23-/m1/s1

1 reference

Natural Product Atlas ID

NPA017721

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

HHLNXXASUKFCCX-VUHGFIBQSA-N

(Q105028361)

(1R,9S,14E)-11-hydroxy-14-(1H-imidazol-5-ylmethylidene)-2-methoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.01,13.03,8]hexadeca-3,5,7-triene-12,15-dione

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