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CHEBI:207393 - Stachybonoid A

ChEBI IDCHEBI:207393
ChEBI NameStachybonoid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H36O7
Net Charge0
Average Mass460.567
Monoisotopic Mass460.24610
SMILESCOC(C)(C)[C@H](O)CC/C(C)=C\CC[C@@]1(C)C=Cc2c(O)cc(COC(C)=O)c(C=O)c2O1
InChIInChI=1S/C26H36O7/c1-17(9-10-23(30)25(3,4)31-6)8-7-12-26(5)13-11-20-22(29)14-19(16-32-18(2)28)21(15-27)24(20)33-26/h8,11,13-15,23,29-30H,7,9-10,12,16H2,1-6H3/b17-8-/t23-,26+/m1/s1
InChIKeyCAUKGUYSIGEABV-GNPWSVPLSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - DOI (10.1039/c7ra09859f)
ChEBI Ontology
Outgoing Relation(s)
Stachybonoid A (CHEBI:207393) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
[(2S)-8-ormyl-5-hydroxy-2-[(Z,7R)-7-hydroxy-8-methoxy-4,8-dimethylnon-3-enyl]-2-methylchromen-7-yl]methyl acetate
Manual XrefsDatabases
62453202ChemSpider