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CHEBI:200754 - (3S,7R)-15,18-dihydroxy-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

ChEBI IDCHEBI:200754
ChEBI Name(3S,7R)-15,18-dihydroxy-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
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H12O7
Net Charge0
Average Mass340.287
Monoisotopic Mass340.05830
SMILESCOc1cc2c(c3oc4c(O)ccc(O)c4c(=O)c13)[C@@H]1C=CO[C@@H]1O2
InChIInChI=1S/C18H12O7/c1-22-10-6-11-12(7-4-5-23-18(7)24-11)17-14(10)15(21)13-8(19)2-3-9(20)16(13)25-17/h2-7,18-20H,1H3/t7-,18+/m0/s1
InChIKeyDLFUWLRKJWSZMW-ULCDLSAGSA-N
Species of MetaboliteComponentSourceComments
Aschersonia (ncbitaxon:100986) - DOI (10.1016/j.tet.2012.07.059)
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
(3S,7R)-15,18-dihydroxy-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 (CHEBI:200754) is a sterigmatocystins (CHEBI:26759)
IUPAC Name 
(3S,7R)-15,18-dihydroxy-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
Manual XrefsDatabases
78436663ChemSpider