CHEBI:223380 - Trichobisvertinol C

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Trichobisvertinol C
ChEBI ID CHEBI:223380
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H36O10
Net Charge 0
Average Mass 532.586
Monoisotopic Mass 532.23085
InChI InChI=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
InChIKey HYLKUZRJQSPXAI-YKUKNFLJSA-N
SMILES O=C1C(=C(O)C(=C(O)C=CC=CCO)[C@H]2[C@@]1(O[C@@]3(O)[C@@](O)(CC(C([C@@]23C)=O)C(=O)CCC=CCO)C)C)C
Metabolite of Species Details
Trichoderma (NCBI:txid5543) See: PubMed
ChEBI Ontology
Outgoing 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