CHEBI:224177 - Territrem E

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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 Territrem E
ChEBI ID CHEBI:224177
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H30O8
Net Charge 0
Average Mass 482.529
Monoisotopic Mass 482.19407
InChI InChI=1S/C27H30O8/c1-23(2)9-8-21(29)25(4)26(23,31)11-10-24(3)27(25,32)14-16-19(35-24)13-18(34-22(16)30)15-6-7-17(28)20(12-15)33-5/h6-9,12-13,28,31-32H,10-11,14H2,1-5H3/t24-,25+,26-,27-/m1/s1
InChIKey NXPWSGHHZIMMOV-HVWQDESWSA-N
SMILES O=C1OC(C2=CC(OC)=C(O)C=C2)=CC3=C1C[C@]4(O)[C@]5(C(=O)C=CC([C@]5(O)CC[C@]4(O3)C)(C)C)C
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
ChEBI Ontology
Outgoing Territrem E (CHEBI:224177) is a organic heterotricyclic compound (CHEBI:26979)
Territrem E (CHEBI:224177) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1S,2S,7R,10R)-1,7-dihydroxy-14-(4-hydroxy-3-methoxyphenyl)-2,6,6,10-tetramethyl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-4,12(17),13-triene-3,16-dione
Manual Xref Database
34981365 ChemSpider
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