(-)-Maackiain

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Systematic / IUPAC Name: (6aR,12aR)-6a,12a-Dihydro-6H-[1,3]dioxolo[5,6][1]benzofuro[3,2-c]chromen-3-ol

ID: Reference3431

Other Names: 6H-[1,3]Dioxolo[5,6]benzofuro[3,2-c][1]benzopyran-3-ol, 6a,12a-dihydro-, (6aR-cis-)- ;
Inermin;
Inermine;
(6aR,12aR)-3-Hydroxy-8,9-methylenedioxypterocarpane

Formula: C16H12O5

Class: Endogenous Metabolites

Spectral Data

(-)-Maackiain 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 Elite
No. of Spectral Trees 1
No. of Spectra 1398
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers IT; FT
Last Modification 11/26/2015 12:43:16 PM
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Identificators

InChI InChI=1S/C16H12O5/c17-8-1-2-9-12(3-8)18-6-11-10-4-14-15(20-7-19-14)5-13(10)21-16(9)11/h1-5,11,16-17H,6-7H2/t11-,16-/m0/s1
InChI Key HUKSJTUUSUGIDC-ZBEGNZNMSA-N
Canonical SMILES C1C2C(C3=C(O1)C=C(C=C3)O)OC4=CC5=C(C=C24)OCO5
CAS
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Other Names 6H-[1,3]Dioxolo[5,6]benzofuro[3,2-c][1]benzopyran-3-ol, 6a,12a-dihydro-, (6aR-cis-)- ;
Inermin;
Inermine;
(6aR,12aR)-3-Hydroxy-8,9-methylenedioxypterocarpane

In Other Databases

ChEBI CHEBI:99
KEGG C10502
ChemSpider 82631; 323014
PubChem 91510
ChemIDPlus 002035156