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CHEBI:214608 - Bistachybotrysin X

Default Structure
ChEBI IDCHEBI:214608
ChEBI NameBistachybotrysin X
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H64O12
Net Charge0
Average Mass833.028
Monoisotopic Mass832.43978
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]2O[C@H](OC4)c3c(cc(O)c4c3O[C@]3(C4)[C@H](C)CC[C@H]4C(C)(C)[C@H](O)[C@H](O)C[C@@]43C)[C@@H]2O)C1(C)C
InChIInChI=1S/C48H64O12/c1-21-10-12-32-43(4,5)40(55)30(52)18-45(32,8)47(21)17-27-29(51)15-25-35(38(27)60-47)42-56-20-24-14-28(50)26-16-48(59-37(26)34(24)39(58-42)36(25)54)22(2)11-13-33-44(6,7)41(57-23(3)49)31(53)19-46(33,48)9/h14-15,21-22,30-33,36,39-42,50-55H,10-13,16-20H2,1-9H3/t21-,22-,30-,31-,32+,33+,36+,39+,40-,41-,42+,45+,46+,47-,48-/m1/s1
InChIKeyXSQBRORPJAAHRX-CHAOTQSISA-N
Species of MetaboliteComponentSourceComments
Stachybotrys chartarum (ncbitaxon:74722) - DOI (10.1016/j.phytol.2019.11.011)
ChEBI Ontology
Outgoing Relation(s)
Bistachybotrysin X (CHEBI:214608) is a triterpenoid (CHEBI:36615)