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CHEBI:217609 - Formicin B

ChEBI IDCHEBI:217609
ChEBI NameFormicin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H29NO3S
Net Charge0
Average Mass375.534
Monoisotopic Mass375.18681
SMILESCCCC/C(C)=C/[C@@H]1C=CC2=CC(=O)C[C@H]2[C@@H]1C(=O)SCCNC(C)=O
InChIInChI=1S/C21H29NO3S/c1-4-5-6-14(2)11-17-8-7-16-12-18(24)13-19(16)20(17)21(25)26-10-9-22-15(3)23/h7-8,11-12,17,19-20H,4-6,9-10,13H2,1-3H3,(H,22,23)/b14-11+/t17-,19+,20+/m0/s1
InChIKeyDKWOCYNYXACOCR-AFHMNALDSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (32628492)
ChEBI Ontology
Outgoing Relation(s)
Formicin B (CHEBI:217609) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
S-(2-acetamidoethyl) (3aS,4R,5S)-5-[(E)-2-methylhex-1-enyl]-2-oxo-3,3a,4,5-tetrahydroindene-4-carbothioate