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CHEBI:212173 - Dimericbiscognienyne C

ChEBI IDCHEBI:212173
ChEBI NameDimericbiscognienyne C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H40O6
Net Charge0
Average Mass520.666
Monoisotopic Mass520.28249
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=CC(=O)C[C@@]1(O)CC=C(C)C
InChIInChI=1S/C32H40O6/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/h8,10,14,16,24-28,34-36H,3,11,13,15,17H2,1-2,4-7H3/t24-,25-,26-,27-,28+,29+,30-,31+,32-/m1/s1
InChIKeyHASNUJLTSPNIBX-SSOYLSJASA-N
Species of MetaboliteComponentSourceComments
Biscogniauxia (ncbitaxon:97376) - DOI (10.1016/j.cclet.2018.05.019)
ChEBI Ontology
Outgoing Relation(s)
Dimericbiscognienyne C (CHEBI:212173) is a oxacycle (CHEBI:38104)
IUPAC Name 
(1R,2S,4S,5R,6S,10R,15S,16R,18R)-1,5,15-trihydroxy-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-dien-13-one