CHEBI:212666 - SF2415B3

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 SF2415B3
ChEBI ID CHEBI:212666
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H32Cl2O5
Net Charge 0
Average Mass 495.440
Monoisotopic Mass 494.16268
InChI InChI=1S/C26H32Cl2O5/c1-14(2)8-7-9-15(3)10-11-26-22(31)17-12-18(29)16(4)21(30)20(17)23(32)25(26,28)13-19(27)24(5,6)33-26/h8,10,12,19,29-30H,7,9,11,13H2,1-6H3/b15-10+/t19-,25+,26+/m1/s1
InChIKey ZLFOHASQVSADOU-XHCSNWKWSA-N
SMILES Cl[C@@]12C(=O)C3=C(O)C(=C(O)C=C3C([C@@]1(OC(C)(C)[C@@H](C2)Cl)C/C=C(/CCC=C(C)C)\C)=O)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing SF2415B3 (CHEBI:212666) is a menaquinones (CHEBI:25185)
IUPAC Name
(3R,4aR,10aS)-3,4a-dichloro-10a-[(2E)-3,7-dimethylocta-2,6-dienyl]-6,8-dihydroxy-2,2,7-trimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione
Manual Xref Database
74179769 ChemSpider
View more database links