EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:215435 - Bistachybotrysin A

ChEBI IDCHEBI:215435
ChEBI NameBistachybotrysin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H62O10
Net Charge0
Average Mass774.992
Monoisotopic Mass774.43430
SMILESC[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)[C@@H]1O[C@H](OC3)c2c(cc(O)c3c2O[C@]2(C3)[C@H](C)CC[C@H]3C(C)(C)[C@H](O)[C@H](O)C[C@@]32C)[C@@H]1O
InChIInChI=1S/C46H62O10/c1-21-9-11-30-41(3,4)32(50)13-14-43(30,7)45(21)17-25-27(47)15-23-20-53-40-34-24(35(51)38(54-40)33(23)36(25)55-45)16-28(48)26-18-46(56-37(26)34)22(2)10-12-31-42(5,6)39(52)29(49)19-44(31,46)8/h15-16,21-22,29-32,35,38-40,47-52H,9-14,17-20H2,1-8H3/t21-,22-,29-,30+,31+,32-,35+,38+,39-,40+,43+,44+,45-,46-/m1/s1
InChIKeyQAHXJYZUEFVHMJ-UHDMIVOYSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys chartarum (ncbitaxon:74722) - PubMed (29279273)
ChEBI Ontology
Outgoing Relation(s)
Bistachybotrysin A (CHEBI:215435) is a 2-benzopyran (CHEBI:38444)