CHEBI:217609 - Formicin B

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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 Formicin B
ChEBI ID CHEBI:217609
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H29NO3S
Net Charge 0
Average Mass 375.530
Monoisotopic Mass 375.18681
InChI InChI=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
InChIKey DKWOCYNYXACOCR-AFHMNALDSA-N
SMILES S(C(=O)[C@@H]1[C@@H](C=CC=2[C@H]1CC(=O)C2)/C=C(/CCCC)\C)CCNC(=O)C
Metabolite of Species Details
Streptomycesspecies (NCBI:txid1931) See: PubMed
ChEBI Ontology
Outgoing 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