(Q104988839)

English

(15E,17E)-9,10,12,13-tetrahydroxyhenicosa-15,17-dienoic acid

group of stereoisomers with the chemical formula C₂₁H₃₈O₆

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Statements

instance of

group of stereoisomers

0 references

1 reference

1 reference

386.266838936 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₈O₆

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canonical SMILES

O=C(O)CCCCCCCC(O)C(O)CC(O)C(O)CC=CC=CCCC

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isomeric SMILES

CCC/C=C/C=C/CC(O)C(O)CC(O)C(O)CCCCCCCC(=O)O

1 reference

based on heuristic

inferred from InChI

found in taxon

Dolichousnea longissima

1 reference

stated in

Comprehensive Analysis of Secondary Metabolites in Usnea longissima (Lichenized Ascomycetes, Parmeliaceae) Using UPLC-ESI-QTOF-MS/MS and Pro-Apoptotic Activity of Barbatic Acid

Identifiers

InChI

InChI=1S/C21H38O6/c1-2-3-4-5-7-10-13-17(22)19(24)16-20(25)18(23)14-11-8-6-9-12-15-21(26)27/h4-5,7,10,17-20,22-25H,2-3,6,8-9,11-16H2,1H3,(H,26,27)/b5-4+,10-7+

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InChIKey

DTKJVQHYVYDLPY-YIORLJKJSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DTKJVQHYVYDLPY-YIORLJKJSA-N

ChEBI ID

206022

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C21H38O6/c1-2-3-4-5-7-10-13-17(22)19(24)16-20(25)18(23)14-11-8-6-9-12-15-21(26)27/h4-5,7,10,17-20,22-25H,2-3,6,8-9,11-16H2,1H3,(H,26,27)/b5-4+,10-7+

1 reference

Natural Product Atlas ID

NPA026152

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

DTKJVQHYVYDLPY-YIORLJKJSA-N

(Q104988839)

(15E,17E)-9,10,12,13-tetrahydroxyhenicosa-15,17-dienoic acid

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