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7'-Hydroxyabscisic Acid
SpectraBase Compound ID GJEyRtt75L5
InChI InChI=1S/C15H20O5/c1-10(6-13(18)19)4-5-15(20)11(9-16)7-12(17)8-14(15,2)3/h4-7,16,20H,8-9H2,1-3H3,(H,18,19)/b5-4+,10-6-
InChIKey ZGHRCSAIMSBFLK-IGTFLHFFSA-N
Mol Weight 280.32 g/mol
Molecular Formula C15H20O5
Exact Mass 280.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7xLmXGDyvQu
Name 7'-Hydroxyabscisic Acid
Alternate Name(s) Nigellic acid (2Z,4E)-5-[1-hydroxy-2-(hydroxymethyl)-6,6-dimethyl-4-oxo-1-cyclohex-2-enyl]-3-methylpenta-2,4-dienoic acid (2Z,4E)-5-[1-hydroxy-2-(hydroxymethyl)-6,6-dimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid (2Z,4E)-5-[1-hydroxy-2-(hydroxymethyl)-6,6-dimethyl-4-oxo-cyclohex-2-en-1-yl]-3-methyl-penta-2,4-dienoic acid (2Z,4E)-5-[2-(hydroxymethyl)-6,6-dimethyl-1-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl]-3-methyl-penta-2,4-dienoic acid
CAS Registry Number 91897-25-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O5
InChI InChI=1S/C15H20O5/c1-10(6-13(18)19)4-5-15(20)11(9-16)7-12(17)8-14(15,2)3/h4-7,16,20H,8-9H2,1-3H3,(H,18,19)/b5-4+,10-6-
InChIKey ZGHRCSAIMSBFLK-IGTFLHFFSA-N
Molecular Weight 280.320 g/mol
SMILES OCC=1C(C(CC(C1)=O)(C)C)(\C=C\C(=C/C(=O)O)C)O
SPLASH splash10-001i-9620000000-8ab0da3e88f8056363ef
Source of Spectrum F-47-3268-1
Wiley ID 1283830