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CHEBI:212166 - Dimericbiscognienyne B

ChEBI IDCHEBI:212166
ChEBI NameDimericbiscognienyne B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H42O6
Net Charge0
Average Mass522.682
Monoisotopic Mass522.29814
SMILESC=C(C)C#C[C@@]12[C@@H]3C=C(C)C[C@@H]1[C@@H](O)[C@@H]1O[C@]1(CC=C(C)C)[C@]2(O)O[C@@H]1C3=C[C@@H](O)C[C@@]1(O)CC=C(C)C
InChIInChI=1S/C32H42O6/c1-18(2)8-11-29(35)17-22(33)16-23-24-14-21(7)15-25-26(34)28-31(37-28,13-10-20(5)6)32(36,38-27(23)29)30(24,25)12-9-19(3)4/h8,10,14,16,22,24-28,33-36H,3,11,13,15,17H2,1-2,4-7H3/t22-,24-,25-,26-,27-,28+,29+,30-,31+,32-/m1/s1
InChIKeyABIPLIQOPJCQBM-PMPREJSXSA-N
Species of MetaboliteComponentSourceComments
Biscogniauxia (ncbitaxon:97376) - DOI (10.1016/j.cclet.2018.05.019)
ChEBI Ontology
Outgoing Relation(s)
Dimericbiscognienyne B (CHEBI:212166) is a oxacycle (CHEBI:38104)
IUPAC Name 
(1R,2S,4S,5R,6S,10R,13S,15S,16R,18R)-8-methyl-2,15-bis(3-methylbut-2-enyl)-18-(3-methylbut-3-en-1-ynyl)-3,17-dioxapentacyclo[8.7.1.02,4.06,18.011,16]octadeca-8,11-diene-1,5,13,15-tetrol