Hematoxylin

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Systematic / IUPAC Name: (6aR)-7,11b-Dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol

ID: Reference1818

Other Names: Hematoxylin

Formula: C16H14O6

Class: Endogenous Metabolites

Spectral Data

Hematoxylin 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 Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 73
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 12/23/2014 4:15:22 PM
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Identificators

InChI InChI=1S/C16H14O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,13,17-21H,5-6H2/t13?,16-/m0/s1
InChI Key WZUVPPKBWHMQCE-VYIIXAMBSA-N
Canonical SMILES C1C2=CC(=C(C=C2C3C1(COC4=C3C=CC(=C4O)O)O)O)O
CAS 517282
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Other Names Hematoxylin

In Other Databases

Wikipedia Haematoxylin
PubChem 45029742
KEGG C09931
ChemSpider 21106443