EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:215439 - Bistachybotrysin B

ChEBI IDCHEBI:215439
ChEBI NameBistachybotrysin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H64O11
Net Charge0
Average Mass817.029
Monoisotopic Mass816.44486
SMILESCC(=O)O[C@@H]1[C@H](O)C[C@@]2(C)[C@@H](CC[C@@H](C)[C@]23Cc2c(O)cc4c(c2O3)[C@H]2OCc3cc(O)c5c(c3[C@H](O2)[C@H]4O)O[C@]2(C5)[C@H](C)CC[C@H]3C(C)(C)[C@H](O)CC[C@@]32C)C1(C)C
InChIInChI=1S/C48H64O11/c1-22-10-12-32-43(4,5)34(53)14-15-45(32,8)47(22)18-27-29(50)16-25-21-55-42-36-26(37(54)40(57-42)35(25)38(27)58-47)17-30(51)28-19-48(59-39(28)36)23(2)11-13-33-44(6,7)41(56-24(3)49)31(52)20-46(33,48)9/h16-17,22-23,31-34,37,40-42,50-54H,10-15,18-21H2,1-9H3/t22-,23-,31-,32+,33+,34-,37+,40+,41-,42+,45+,46+,47-,48-/m1/s1
InChIKeyGMZSECWXGWMLSK-FUYOYEJBSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys chartarum (ncbitaxon:74722) - PubMed (29279273)
ChEBI Ontology
Outgoing Relation(s)
Bistachybotrysin B (CHEBI:215439) is a 2-benzopyran (CHEBI:38444)