CHEBI:214614 - Bistachybotrysin Y

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Bistachybotrysin Y
ChEBI ID CHEBI:214614
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C50H66O13
Net Charge 0
Average Mass 875.065
Monoisotopic Mass 874.45034
InChI InChI=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
InChIKey PLYBFRBBMRWYMN-MQTZYYILSA-N
SMILES O=C(O[C@H]1C([C@H]2[C@]([C@]3(OC=4C5=C([C@H](O)[C@@H]6C=7C=8O[C@]9([C@@]%10([C@H](C([C@H](OC(=O)C)[C@@H](C%10)O)(C)C)CC[C@H]9C)C)CC8C(=CC7CO[C@H]5O6)O)C=C(C4C3)O)[C@H](C)CC2)(C)C[C@H]1O)(C)C)C
Metabolite of Species Details
Stachybotrys chartarum (NCBI:txid74722) See: DOI
ChEBI Ontology
Outgoing Bistachybotrysin Y (CHEBI:214614) is a triterpenoid (CHEBI:36615)