CHEBI:198497 - Tetrahydrotrichodimerol

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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 Tetrahydrotrichodimerol
ChEBI ID CHEBI:198497
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H36O8
Net Charge 0
Average Mass 500.588
Monoisotopic Mass 500.24102
InChI InChI=1S/C28H36O8/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/h7-10,19-20,31-34H,11-14H2,1-6H3/b9-7+,10-8+/t19?,20?,23-,24-,25+,26+,27-,28-/m1/s1
InChIKey OBZQDMLNHGGQSV-CAVKXZEMSA-N
SMILES O=C(C1=C(O)[C@@]2([C@]3(O[C@]4(C2C(C(=O)CC/C=C/C)=C([C@]5(C1[C@@]3(O[C@]54O)C)C)O)C)O)C)CC/C=C/C
Metabolite of Species Details
Penicillium terrestre (NCBI:txid374132) See: PubMed
ChEBI Ontology
Outgoing Tetrahydrotrichodimerol (CHEBI:198497) is a oxacycle (CHEBI:38104)
IUPAC Name
(E)-1-[(1R,3S,7R,8R,10S,14R)-12-[(E)-hex-4-enoyl]-1,6,8,13-tetrahydroxy-3,7,10,14-tetramethyl-2,9-dioxapentacyclo[8.4.0.03,8.04,14.07,11]tetradeca-5,12-dien-5-yl]hex-4-en-1-one
Manual Xref Database
78436362 ChemSpider
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