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CHEBI:223374 - Trichobisvertinol B

ChEBI IDCHEBI:223374
ChEBI NameTrichobisvertinol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H36O9
Net Charge0
Average Mass516.587
Monoisotopic Mass516.23593
SMILESCC=CCCC(=O)C1C[C@](C)(O)[C@]2(O)O[C@]3(C)C(=O)C(C)=C(O)C(=C(O)C=CC=CCO)[C@@H]3[C@]2(C)C1=O
InChIInChI=1S/C28H36O9/c1-6-7-9-12-18(30)17-15-25(3,35)28(36)26(4,24(17)34)22-20(19(31)13-10-8-11-14-29)21(32)16(2)23(33)27(22,5)37-28/h6-8,10-11,13,17,22,29,31-32,35-36H,9,12,14-15H2,1-5H3/t17?,22-,25+,26-,27+,28+/m1/s1
InChIKeyCANLDOWAUDIZEB-YKUKNFLJSA-N
Species of MetaboliteComponentSourceComments
Trichoderma (ncbitaxon:5543) - PubMed (30920218)
ChEBI Ontology
Outgoing Relation(s)
Trichobisvertinol B (CHEBI:223374) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
(4S,4aR,5aS,9aR,9bR)-9-(1,6-dihydroxyhexa-2,4-dienylidene)-2-hex-4-enoyl-4,4a,8-trihydroxy-4,5a,7,9b-tetramethyl-3,9a-dihydro-2H-dibenzouran-1,6-dione