(Q104914420)

English

(17S)-9,9,16,16-tetramethyl-14-oxido-8-oxa-23,25-diaza-14-azoniaheptacyclo[17.5.2.01,17.03,15.04,13.07,12.019,23]hexacosa-2,4(13),5,7(12),10,14-hexaene-24,26-dione

group of stereoisomers with the chemical formula C₂₆H₂₇N₃O₄

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Statements

instance of

group of stereoisomers

0 references

subclass of

biogenic 2,5-diketopiperazine

1 reference

inferred from

biogenic 2,5-diketopiperazine

mass

445.200156344 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₂₇N₃O₄

0 references

canonical SMILES

CC1(C)C=Cc2c(ccc3c2[N+]([O-])=C2C3=CC34NC(=O)C5(CCCN5C3=O)CC4C2(C)C)O1

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isomeric SMILES

CC1(C)C=Cc2c(ccc3c2[N+]([O-])=C2C3=CC34NC(=O)C5(CCCN5C3=O)C[C@H]4C2(C)C)O1

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found in taxon

Aspergillus ochraceus

1 reference

stated in

A new antibiotic CJ-17,665 from Aspergillus ochraceus.

Identifiers

InChI

InChI=1S/C26H27N3O4/c1-23(2)10-8-15-17(33-23)7-6-14-16-12-26-18(24(3,4)20(16)29(32)19(14)15)13-25(21(30)27-26)9-5-11-28(25)22(26)31/h6-8,10,12,18H,5,9,11,13H2,1-4H3,(H,27,30)/t18-,25?,26?/m0/s1

0 references

InChIKey

ALXLLOQTGLPCFG-XFXRKFMASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ALXLLOQTGLPCFG-XFXRKFMASA-N

ChEBI ID

208798

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C26H27N3O4/c1-23(2)10-8-15-17(33-23)7-6-14-16-12-26-18(24(3,4)20(16)29(32)19(14)15)13-25(21(30)27-26)9-5-11-28(25)22(26)31/h6-8,10,12,18H,5,9,11,13H2,1-4H3,(H,27,30)/t18-,25?,26?/m0/s1

Natural Product Atlas ID

NPA013855

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

ALXLLOQTGLPCFG-XFXRKFMASA-N

(Q104914420)

(17S)-9,9,16,16-tetramethyl-14-oxido-8-oxa-23,25-diaza-14-azoniaheptacyclo[17.5.2.01,17.03,15.04,13.07,12.019,23]hexacosa-2,4(13),5,7(12),10,14-hexaene-24,26-dione

Statements

Identifiers

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