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CHEBI:226300 - (3S,7R)-11-[(2R,3R,4R,5S)-3,4-dihydroxy-5-methoxyoxan-2-yl]oxy-15-hydroxy-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:226300
ChEBI Name(3S,7R)-11-[(2R,3R,4R,5S)-3,4-dihydroxy-5-methoxyoxan-2-yl]oxy-15-hydroxy-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
FormulaC23H20O10
Net Charge0
Average Mass456.403
Monoisotopic Mass456.10565
SMILESCO[C@H]1CO[C@H](Oc2cc3c(c4oc5cccc(O)c5c(=O)c24)[C@@H]2C=CO[C@@H]2O3)[C@H](O)[C@H]1O
InChIInChI=1S/C23H20O10/c1-28-14-8-30-23(20(27)18(14)25)33-13-7-12-15(9-5-6-29-22(9)32-12)21-17(13)19(26)16-10(24)3-2-4-11(16)31-21/h2-7,9,14,18,20,22-25,27H,8H2,1H3/t9-,14-,18-,20+,22+,23+/m0/s1
InChIKeyFTRIBOHVBCUNQE-ZLRXVCEVSA-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)-11-[(2R,3R,4R,5S)-3,4-dihydroxy-5-methoxyoxan-2-yl]oxy-15-hydroxy-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:226300) is a sterigmatocystins (CHEBI:26759)
IUPAC Name 
(3S,7R)-11-[(2R,3R,4R,5S)-3,4-dihydroxy-5-methoxyoxan-2-yl]oxy-15-hydroxy-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
78437803ChemSpider