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CHEBI:226704 - Aspertenol C

ChEBI IDCHEBI:226704
ChEBI NameAspertenol C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC34H36O12
Net Charge0
Average Mass636.650
Monoisotopic Mass636.22068
SMILESCOc1ccc(O)c2c(=O)c3c(OC)cc4c(c3oc12)[C@H]1C[C@H](OC(=O)c2ccc([C@@](C)(O)CCCC(C)(C)O)c(O)c2)O[C@H]1O4
InChIInChI=1S/C34H36O12/c1-33(2,39)11-6-12-34(3,40)18-8-7-16(13-20(18)36)31(38)44-24-14-17-25-23(43-32(17)45-24)15-22(42-5)27-28(37)26-19(35)9-10-21(41-4)29(26)46-30(25)27/h7-10,13,15,17,24,32,35-36,39-40H,6,11-12,14H2,1-5H3/t17-,24-,32-,34+/m1/s1
InChIKeyOMTAWALVOBKTKI-CJHVEAIOSA-N
Species of MetaboliteComponentSourceComments
Aspergillus tennesseensis (ncbitaxon:1220210) - PubMed (29416122)
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
Aspertenol C (CHEBI:226704) is a sterigmatocystins (CHEBI:26759)
IUPAC Name 
[(3R,5S,7R)-15-hydroxy-11,18-dimethoxy-13-oxo-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1,9,11,14,16,18-hexaen-5-yl] 4-[(2S)-2,6-dihydroxy-6-methylheptan-2-yl]-3-hydroxybenzoate
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78438841ChemSpider