CHEBI:193514 - 3,4,5-trihydroxy-6-({15-hydroxy-13-oxo-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1,4,9,11,14,16,18-heptaen-11-yl}oxy)oxane-2-carboxylic acid

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ChEBI Name 3,4,5-trihydroxy-6-({15-hydroxy-13-oxo-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1,4,9,11,14,16,18-heptaen-11-yl}oxy)oxane-2-carboxylic acid
ChEBI ID CHEBI:193514
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C23H18O12
Net Charge 0
Average Mass 486.385
Monoisotopic Mass 486.07983
InChI InChI=1S/C23H18O12/c24-8-2-1-3-9-13(8)15(25)14-11(34-23-18(28)16(26)17(27)20(35-23)21(29)30)6-10-12(19(14)32-9)7-4-5-31-22(7)33-10/h1-7,16-18,20,22-24,26-28H,(H,29,30)
InChIKey OZQCJLVYNMRZKA-UHFFFAOYSA-N
SMILES C1=CC(=C2C(=C1)OC3=C4C5C=COC5OC4=CC(=C3C2=O)OC6C(C(C(C(C(=O)O)O6)O)O)O)O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). See: MetaboLights Study
Roles Classification
Biological Role(s): mycotoxin
Poisonous substance produced by fungi.
(via sterigmatocystins )
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ChEBI Ontology
Outgoing 3,4,5-trihydroxy-6-({15-hydroxy-13-oxo-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1,4,9,11,14,16,18-heptaen-11-yl}oxy)oxane-2-carboxylic acid (CHEBI:193514) is a sterigmatocystins (CHEBI:26759)