CHEBI:220847 - Aclidinomycin 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 Aclidinomycin B
ChEBI ID CHEBI:220847
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H25N3O7
Net Charge 0
Average Mass 431.445
Monoisotopic Mass 431.16925
InChI InChI=1S/C21H25N3O7/c1-7-15(29-3)14(25)10-12-20(27)31-19-9-6-8-11(22(9)2)13(24(12)19)16(21(10,28)17(7)26)23-4-5-30-18(8)23/h8-9,11,13,16,18-20,27-28H,4-6H2,1-3H3/t8-,9-,11+,13?,16?,18?,19?,20?,21?/m0/s1
InChIKey WPPGPABOHAFRPK-LMIBOXEZSA-N
SMILES O=C1C(OC)=C(C(=O)C2(C1=C3N4C5[C@@H]6N(C)[C@H](C4OC3O)C[C@@H]6C7N(C25)CCO7)O)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Aclidinomycin B (CHEBI:220847) is a isoquinolines (CHEBI:24922)
IUPAC Name
(19S,21S,23R)-5,12-dihydroxy-9-methoxy-10,22-dimethyl-4,17-dioxa-2,14,22-triazaheptacyclo[11.10.0.02,6.03,21.07,12.014,18.019,23]tricosa-6,9-diene-8,11-dione