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CHEBI:223367 - Trichobisvertinol A

ChEBI IDCHEBI:223367
ChEBI NameTrichobisvertinol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H36O8
Net Charge0
Average Mass500.588
Monoisotopic Mass500.24102
SMILESCC=CC=CC(O)=C1C(O)=C(C)C(=O)[C@@]2(C)O[C@@]3(O)[C@@](C)(O)CC(C(=O)CCC=CC)C(=O)[C@@]3(C)[C@@H]12
InChIInChI=1S/C28H36O8/c1-7-9-11-13-18(29)17-15-25(4,34)28(35)26(5,24(17)33)22-20(19(30)14-12-10-8-2)21(31)16(3)23(32)27(22,6)36-28/h7-10,12,14,17,22,30-31,34-35H,11,13,15H2,1-6H3/t17?,22-,25+,26-,27+,28+/m1/s1
InChIKeyGSJHXSBNOUHSSS-YKUKNFLJSA-N
Species of MetaboliteComponentSourceComments
Trichoderma (ncbitaxon:5543) - PubMed (30920218)
ChEBI Ontology
Outgoing Relation(s)
Trichobisvertinol A (CHEBI:223367) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(4S,4aR,5aS,9aR,9bR)-2-hex-4-enoyl-4,4a,8-trihydroxy-9-(1-hydroxyhexa-2,4-dienylidene)-4,5a,7,9b-tetramethyl-3,9a-dihydro-2H-dibenzouran-1,6-dione