(Q105259398)

English

(E)-9,10,12,13,15,16-hexahydroxyoctacos-18-enoic acid

group of stereoisomers with the chemical formula C₂₈H₅₄O₈

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Statements

instance of

group of stereoisomers

0 references

1 reference

1 reference

518.381868688 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₅₄O₈

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canonical SMILES

O=C(O)CCCCCCCC(O)C(O)CC(O)C(O)CC(O)C(O)CC=CCCCCCCCCC

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isomeric SMILES

CCCCCCCCC/C=C/CC(O)C(O)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/C28H54O8/c1-2-3-4-5-6-7-8-9-11-14-17-22(29)24(31)20-26(33)27(34)21-25(32)23(30)18-15-12-10-13-16-19-28(35)36/h11,14,22-27,29-34H,2-10,12-13,15-21H2,1H3,(H,35,36)/b14-11+

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InChIKey

SRSSBLGPMFOYCN-SDNWHVSQSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SRSSBLGPMFOYCN-SDNWHVSQSA-N

ChEBI ID

206048

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C28H54O8/c1-2-3-4-5-6-7-8-9-11-14-17-22(29)24(31)20-26(33)27(34)21-25(32)23(30)18-15-12-10-13-16-19-28(35)36/h11,14,22-27,29-34H,2-10,12-13,15-21H2,1H3,(H,35,36)/b14-11+

1 reference

Natural Product Atlas ID

NPA026156

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

SRSSBLGPMFOYCN-SDNWHVSQSA-N

(Q105259398)

(E)-9,10,12,13,15,16-hexahydroxyoctacos-18-enoic acid

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