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CHEBI:207803 - Stachybotrysin B

ChEBI IDCHEBI:207803
ChEBI NameStachybotrysin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34O6
Net Charge0
Average Mass430.541
Monoisotopic Mass430.23554
SMILESCC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H](C)[C@]23Cc2c(O)cc(CO)c(C=O)c2O3)C1(C)C
InChIInChI=1S/C25H34O6/c1-14-6-7-20-23(3,4)21(30-15(2)28)8-9-24(20,5)25(14)11-17-19(29)10-16(12-26)18(13-27)22(17)31-25/h10,13-14,20-21,26,29H,6-9,11-12H2,1-5H3/t14-,20+,21-,24+,25-/m1/s1
InChIKeyQQTZGKRXYRFKIF-UKDHAUJISA-N
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - PubMed (28530828)
ChEBI Ontology
Outgoing Relation(s)
Stachybotrysin B (CHEBI:207803) is a benzofurans (CHEBI:35259)
IUPAC Name 
[(2R,4aS,5R,6R,8aS)-7'-ormyl-4'-hydroxy-6'-(hydroxymethyl)-1,1,4a,6-tetramethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-3H-1-benzouran]-2-yl] acetate
Manual XrefsDatabases
78438975ChemSpider