(Q104203104)

English

Columbamide A

group of stereoisomers with the chemical formula C₂₃H₄₁Cl₂NO₄

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Statements

instance of

group of stereoisomers

0 references

subclass of

chemical compound

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mass

465.241264152 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₄₁Cl₂NO₄

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canonical SMILES

O=C(OCC(N(C(=O)CCC=CCCCCC(Cl)CCCCCCCl)C)COC)C

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isomeric SMILES

COC[C@@H](COC(C)=O)N(C)C(=O)CC/C=C/CCCCC(Cl)CCCCCCCl

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found in taxon

Moorea bouillonii

1 reference

stated in

Combining Mass Spectrometric Metabolic Profiling with Genomic Analysis: A Powerful Approach for Discovering Natural Products from Cyanobacteria

Identifiers

InChI

InChI=1S/C23H41Cl2NO4/c1-20(27)30-19-22(18-29-3)26(2)23(28)16-12-7-5-4-6-10-14-21(25)15-11-8-9-13-17-24/h5,7,21-22H,4,6,8-19H2,1-3H3/b7-5+/t21?,22-/m0/s1

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InChIKey

VFUSKSIAISUKGN-DUNCQPMOSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

VFUSKSIAISUKGN-DUNCQPMOSA-N

ChEBI ID

212701

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C23H41Cl2NO4/c1-20(27)30-19-22(18-29-3)26(2)23(28)16-12-7-5-4-6-10-14-21(25)15-11-8-9-13-17-24/h5,7,21-22H,4,6,8-19H2,1-3H3/b7-5+/t21?,22-/m0/s1

1 reference

1 reference

matched by identifier from

InChIKey

VFUSKSIAISUKGN-DUNCQPMOSA-N

Natural Product Atlas ID

NPA027275

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

VFUSKSIAISUKGN-DUNCQPMOSA-N

(Q104203104)

Columbamide A

Statements

Identifiers

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