Sterigmatocystin

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Systematic / IUPAC Name: (3aR,12cS)-8-Hydroxy-6-methoxy-3a,12c-dihydro-7H-furo[3',2':4,5]furo[2,3-c]xanthen-7-one

ID: Reference6171

Other Names: Sterigmatocystine;
3a,12c-Dihydro-8-hydroxy-6-methoxy-7H-furo[3',2':4,5]furo[2,3-c]xanthen-7-one;
7H-Furo[3',2':4,5]furo[2,3-c]xanthen-7-one, 3a,12c-dihydro-8-hydroxy-6-methoxy-

Formula: C18H12O6

Class: Natural Toxins

Spectral Data

Sterigmatocystin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 1962
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers IT; FT
Last Modification 1/22/2018 7:13:37 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C18H12O6/c1-21-11-7-12-13(8-5-6-22-18(8)24-12)17-15(11)16(20)14-9(19)3-2-4-10(14)23-17/h2-8,18-19H,1H3/t8-,18+/m0/s1
InChI Key UTSVPXMQSFGQTM-DCXZOGHSSA-N
Canonical SMILES COC1=C2C(=C3C4C=COC4OC3=C1)OC5=C(C2=O)C(=CC=C5)O
CAS
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Other Names Sterigmatocystine;
3a,12c-Dihydro-8-hydroxy-6-methoxy-7H-furo[3',2':4,5]furo[2,3-c]xanthen-7-one;
7H-Furo[3',2':4,5]furo[2,3-c]xanthen-7-one, 3a,12c-dihydro-8-hydroxy-6-methoxy-

In Other Databases

PubChem 5280389
ChEMBL CHEMBL524291
ChEBI CHEBI:18227
ChemIDPlus 010048132
Wikipedia Sterigmatocystin
KEGG C00961
ChemSpider 4444077