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CHEBI:205893 - Bistachybotrysin K

ChEBI IDCHEBI:205893
ChEBI NameBistachybotrysin K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H62O9
Net Charge0
Average Mass758.993
Monoisotopic Mass758.43938
SMILESC[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)[C@@H]1OCc2cc(O)c4c(c2[C@@H](O1)[C@@H]3O)O[C@]1(C4)[C@H](C)CC[C@H]2C(C)(C)[C@H](O)CC[C@@]21C
InChIInChI=1S/C46H62O9/c1-22-9-11-30-41(3,4)32(49)13-15-43(30,7)45(22)19-26-28(47)17-24-21-52-40-35-25(36(51)39(53-40)34(24)37(26)54-45)18-29(48)27-20-46(55-38(27)35)23(2)10-12-31-42(5,6)33(50)14-16-44(31,46)8/h17-18,22-23,30-33,36,39-40,47-51H,9-16,19-21H2,1-8H3/t22-,23-,30+,31+,32-,33-,36-,39-,40-,43+,44+,45-,46-/m1/s1
InChIKeyXSTHELSWBAYTOI-VBLLDVAJSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - PubMed (31738087)
ChEBI Ontology
Outgoing Relation(s)
Bistachybotrysin K (CHEBI:205893) is a 2-benzopyran (CHEBI:38444)