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CHEBI:207798 - Stachybotrysin A

ChEBI IDCHEBI:207798
ChEBI NameStachybotrysin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34O5
Net Charge0
Average Mass414.542
Monoisotopic Mass414.24062
SMILESCC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H](C)[C@]23Cc2c(O)cc(C)c(C=O)c2O3)C1(C)C
InChIInChI=1S/C25H34O5/c1-14-11-19(28)17-12-25(30-22(17)18(14)13-26)15(2)7-8-20-23(4,5)21(29-16(3)27)9-10-24(20,25)6/h11,13,15,20-21,28H,7-10,12H2,1-6H3/t15-,20+,21-,24+,25-/m1/s1
InChIKeyDBXHPZZOVLNOBW-YGBZGYNCSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - PubMed (28530828)
ChEBI Ontology
Outgoing Relation(s)
Stachybotrysin A (CHEBI:207798) is a benzofurans (CHEBI:35259)
IUPAC Name 
[(2R,4aS,5R,6R,8aS)-7'-ormyl-4'-hydroxy-1,1,4a,6,6'-pentamethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-3H-1-benzouran]-2-yl] acetate
Manual XrefsDatabases
78438974ChemSpider