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CHEBI:214614 - Bistachybotrysin Y

Default Structure
ChEBI IDCHEBI:214614
ChEBI NameBistachybotrysin Y
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H66O13
Net Charge0
Average Mass875.065
Monoisotopic Mass874.45034
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](OC(C)=O)[C@H](O)C[C@@]32C)C1(C)C
InChIInChI=1S/C50H66O13/c1-22-11-13-34-45(5,6)42(59-24(3)51)32(55)19-47(34,9)49(22)17-28-30(53)15-26-21-58-44-37-27(38(57)41(61-44)36(26)39(28)62-49)16-31(54)29-18-50(63-40(29)37)23(2)12-14-35-46(7,8)43(60-25(4)52)33(56)20-48(35,50)10/h15-16,22-23,32-35,38,41-44,53-57H,11-14,17-21H2,1-10H3/t22-,23-,32-,33-,34+,35+,38+,41+,42-,43-,44+,47+,48+,49-,50-/m1/s1
InChIKeyPLYBFRBBMRWYMN-MQTZYYILSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys chartarum (ncbitaxon:74722) - DOI (10.1016/j.phytol.2019.11.011)
ChEBI Ontology
Outgoing Relation(s)
Bistachybotrysin Y (CHEBI:214614) is a triterpenoid (CHEBI:36615)