Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 23:42:32 UTC
Update Date2022-12-15 22:51:43 UTC
Metabolite IDMMDBc0006553
Metabolite Identification
Common NameSterigmatocystin
Description
Structure
Synonyms
ValueSource
8-Hydroxy-6-methoxy-3a,12C-dihydro-7H-furo[3',2':4,5]furo[2,3-c]xanthen-7-oneChEBI
Molecular FormulaC18H12O6
Average Mass324.288
Monoisotopic Mass324.063388106
IUPAC Name(3S,7R)-15-hydroxy-11-methoxy-6,8,20-trioxapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹⁴,¹⁹]icosa-1,4,9,11,14,16,18-heptaen-13-one
Traditional Namesterigmatocystin
CAS Registry NumberNot Available
SMILES
[H][C@]12OC=C[C@@]1([H])C1=C3OC4=CC=CC(O)=C4C(=O)C3=C(OC)C=C1O2
InChI Identifier
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 KeyUTSVPXMQSFGQTM-DCXZOGHSSA-N