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CHEBI:204642 - Bisorbibetanone

ChEBI IDCHEBI:204642
ChEBI NameBisorbibetanone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H28O9
Net Charge0
Average Mass496.512
Monoisotopic Mass496.17333
SMILESC/C=C/C=C/C(O)=C1/C(=O)[C@]2(C)C(=O)[C@@]3(C)O[C@@]4(O)[C@]2(O)C(=O)/C(=C(O)\C=C\C=C\C)C(=O)[C@@]4(C)[C@@H]13
InChIInChI=1S/C27H28O9/c1-6-8-10-12-14(28)16-18-23(3)20(31)17(15(29)13-11-9-7-2)21(32)26(34)24(4,19(16)30)22(33)25(18,5)36-27(23,26)35/h6-13,18,28-29,34-35H,1-5H3/b8-6+,9-7+,12-10+,13-11+,16-14-,17-15+/t18-,23-,24-,25+,26+,27-/m1/s1
InChIKeyCSTGOVWGIPVURM-MAUJHVEQSA-N
Species of MetaboliteComponentSourceComments
Trichoderma (ncbitaxon:5543) - DOI (10.1016/s0040-4039(99)00938-7)
ChEBI Ontology
Outgoing Relation(s)
Bisorbibetanone (CHEBI:204642) is a oxanes (CHEBI:46942)
IUPAC Name 
(1R,2R,3Z,5R,7S,9R,10R,12E)-9,10-dihydroxy-3,12-bis[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-1,5,7-trimethyl-8-oxatetracyclo[7.4.0.02,7.05,10]tridecane-4,6,11,13-tetrone