EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:223380 - Trichobisvertinol C

ChEBI IDCHEBI:223380
ChEBI NameTrichobisvertinol C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H36O10
Net Charge0
Average Mass532.586
Monoisotopic Mass532.23085
SMILESCC1=C(O)C(=C(O)C=CC=CCO)[C@@H]2[C@]3(C)C(=O)C(C(=O)CCC=CCO)C[C@](C)(O)[C@]3(O)O[C@]2(C)C1=O
InChIInChI=1S/C28H36O10/c1-16-21(33)20(19(32)12-8-6-10-14-30)22-26(3)24(35)17(18(31)11-7-5-9-13-29)15-25(2,36)28(26,37)38-27(22,4)23(16)34/h5-6,8-10,12,17,22,29-30,32-33,36-37H,7,11,13-15H2,1-4H3/t17?,22-,25+,26-,27+,28+/m1/s1
InChIKeyHYLKUZRJQSPXAI-YKUKNFLJSA-N
Species of MetaboliteComponentSourceComments
Trichoderma (ncbitaxon:5543) - PubMed (30920218)
ChEBI Ontology
Outgoing Relation(s)
Trichobisvertinol C (CHEBI:223380) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
(4S,4aR,5aS,9aR,9bR)-9-(1,6-dihydroxyhexa-2,4-dienylidene)-4,4a,8-trihydroxy-2-(6-hydroxyhex-4-enoyl)-4,5a,7,9b-tetramethyl-3,9a-dihydro-2H-dibenzouran-1,6-dione