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CHEBI:44162 - [1,8-DIHYDROXY-11-OXO-13-(2-METHYLTRITHIO-ETHYLIDENE)-BICYCLO[7.3.1]TRIDECA-4,9-DIENE-2,6-DIYN-10-YL]-CARBAMIC ACID METHYL ESTER

Default Structure
ChEBI IDCHEBI:44162
ChEBI Name[1,8-DIHYDROXY-11-OXO-13-(2-METHYLTRITHIO-ETHYLIDENE)-BICYCLO[7.3.1]TRIDECA-4,9-DIENE-2,6-DIYN-10-YL]-CARBAMIC ACID METHYL ESTER
Stars
DownloadsMolfile
FormulaC18H17NO4S3
Net Charge0
Average Mass407.538
Monoisotopic Mass407.03197
SMILES[H]O[C@@]12C#C/C([H])=C(/[H])C#CC([H])([H])C(=C(N([H])C(=O)OC([H])([H])[H])C(=O)C1([H])[H])/C2=C(/[H])C([H])([H])SSSC([H])([H])[H]
InChIInChI=1S/C18H17NO4S3/c1-23-17(21)19-16-13-8-6-4-3-5-7-10-18(22,12-15(16)20)14(13)9-11-25-26-24-2/h3,5,9,22H,8,11-12H2,1-2H3,(H,19,21)/b5-3-,14-9+/t18-/m0/s1
InChIKeyPNQXYYVQKWQRKL-LUWMVQLVSA-N
ChEBI Ontology
Outgoing Relation(s)
[1,8-DIHYDROXY-11-OXO-13-(2-METHYLTRITHIO-ETHYLIDENE)-BICYCLO[7.3.1]TRIDECA-4,9-DIENE-2,6-DIYN-10-YL]-CARBAMIC ACID METHYL ESTER (CHEBI:44162) is a unclassifieds (CHEBI:27189)
Synonyms  Source
[1,8-DIHYDROXY-11-OXO-13-(2-METHYLTRITHIO-ETHYLIDENE)-BICYCLO[7.3.1]TRIDECA-4,9-DIENE-2,6-DIYN-10-YL]-CARBAMIC ACID METHYL ESTERPDBeChem
methyl (1R,13E)-1-hydroxy-13-[2-(methyltrisulfanyl)ethylidene]-11-oxobicyclo[7.3.1]trideca-4,9-diene-2,6-diyn-10-ylcarbamatePDBeChem
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MTCPDBeChem