CHEBI:225122 - Dihydrotrichodimerol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Dihydrotrichodimerol
ChEBI ID CHEBI:225122
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H34O8
Net Charge 0
Average Mass 498.572
Monoisotopic Mass 498.22537
InChI InChI=1S/C28H34O8/c1-7-9-11-13-15(29)17-19-23(3)22(32)18(16(30)14-12-10-8-2)20-24(4,21(17)31)28(34)25(19,5)35-27(23,33)26(20,6)36-28/h7-11,13,19-20,29,32-34H,12,14H2,1-6H3/b9-7+,10-8+,13-11+,17-15?/t19?,20?,23-,24-,25+,26+,27-,28-/m1/s1
InChIKey VXNANBMCYPZBSM-VPIXFZJBSA-N
SMILES O=C1C(=C(O)/C=C/C=C/C)C2[C@@]3(O[C@@]4([C@]2(C(O)=C(C5[C@]1([C@]3(O[C@@]54C)O)C)C(=O)CC/C=C/C)C)O)C
Metabolite of Species Details
Penicillium terrestre (NCBI:txid374132) See: PubMed
ChEBI Ontology
Outgoing Dihydrotrichodimerol (CHEBI:225122) is a oxacycle (CHEBI:38104)
IUPAC Name
(1S,3R,4R,8S,10R,11R)-13-[(E)-hex-4-enoyl]-3,10,12-trihydroxy-6-[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-1,4,8,11-tetramethyl-2,9-dioxapentacyclo[8.4.0.03,8.04,14.07,11]tetradec-12-en-5-one