(15Z)-9,12,13-Trihydroxy-15-octadecenoic acid

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Systematic / IUPAC Name: (15Z)-9,12,13-Trihydroxy-15-octadecenoic acid

ID: Reference7727

Other Names: 15-Octadecenoic acid, 9,12,13-trihydroxy-, (15Z)-

Formula: C18H34O5

Spectral Data

(15Z)-9,12,13-Trihydroxy-15-octadecenoic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 4/9/2018 7:57:26 AM
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Identificators

InChI InChI=1S/C18H34O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h3,7,15-17,19-21H,2,4-6,8-14H2,1H3,(H,22,23)/b7-3-
InChI Key DNWUYCUUEGGVPR-CLTKARDFSA-N
Canonical SMILES CCC=CCC(C(CCC(CCCCCCCC(=O)O)O)O)O
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Other Names 15-Octadecenoic acid, 9,12,13-trihydroxy-, (15Z)-

In Other Databases

ChemSpider 23550999
PubChem 24066906