(Q105179001)

English

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

group of stereoisomers with the chemical formula C₂₆H₅₀O₈

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Statements

instance of

group of stereoisomers

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1 reference

1 reference

490.35056856 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₆H₅₀O₈

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canonical SMILES

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

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isomeric SMILES

CCCCCCC/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/C26H50O8/c1-2-3-4-5-6-7-9-12-15-20(27)22(29)18-24(31)25(32)19-23(30)21(28)16-13-10-8-11-14-17-26(33)34/h9,12,20-25,27-32H,2-8,10-11,13-19H2,1H3,(H,33,34)/b12-9+

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InChIKey

NGLNZNBUSAOMHO-FMIVXFBMSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

NGLNZNBUSAOMHO-FMIVXFBMSA-N

ChEBI ID

206036

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C26H50O8/c1-2-3-4-5-6-7-9-12-15-20(27)22(29)18-24(31)25(32)19-23(30)21(28)16-13-10-8-11-14-17-26(33)34/h9,12,20-25,27-32H,2-8,10-11,13-19H2,1H3,(H,33,34)/b12-9+

1 reference

Natural Product Atlas ID

NPA026154

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

NGLNZNBUSAOMHO-FMIVXFBMSA-N

(Q105179001)

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

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