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CHEBI:215443 - Bistachybotrysin C

ChEBI IDCHEBI:215443
ChEBI NameBistachybotrysin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H62O11
Net Charge0
Average Mass790.991
Monoisotopic Mass790.42921
SMILESC[C@@H]1CC[C@H]2C(C)(C)[C@H](O)[C@H](O)C[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)[C@H](O)C[C@@]21C
InChIInChI=1S/C46H62O11/c1-20-9-11-30-41(3,4)38(52)28(49)17-43(30,7)45(20)15-24-26(47)13-22-19-54-40-33-23(34(51)37(55-40)32(22)35(24)56-45)14-27(48)25-16-46(57-36(25)33)21(2)10-12-31-42(5,6)39(53)29(50)18-44(31,46)8/h13-14,20-21,28-31,34,37-40,47-53H,9-12,15-19H2,1-8H3/t20-,21-,28-,29-,30+,31+,34+,37+,38-,39-,40+,43+,44+,45-,46-/m1/s1
InChIKeyMLVCZMRRTGYXLM-ZVINPGDASA-N
Species of MetaboliteComponentSourceComments
Stachybotrys chartarum (ncbitaxon:74722) - PubMed (29279273)
ChEBI Ontology
Outgoing Relation(s)
Bistachybotrysin C (CHEBI:215443) is a 2-benzopyran (CHEBI:38444)