CHEBI:227676 - Biselyngbyaside F

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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 Biselyngbyaside F
ChEBI ID CHEBI:227676
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C34H52O9
Net Charge 0
Average Mass 604.781
Monoisotopic Mass 604.36113
InChI InChI=1S/C34H52O9/c1-7-8-14-24(3)20-26-16-12-10-9-11-15-23(2)19-25(4)28(39-5)18-13-17-27(21-30(36)41-26)42-34-32(38)33(40-6)31(37)29(22-35)43-34/h7-13,17,19-20,23,26-29,31-35,37-38H,14-16,18,21-22H2,1-6H3/b8-7+,11-9+,12-10+,17-13+,24-20+,25-19+/t23-,26+,27+,28-,29+,31+,32+,33-,34+/m0/s1
InChIKey QLNOFWPLTFNJPW-QASZSBGESA-N
SMILES O=C1O[C@@H](/C=C(/C/C=C/C)\C)CC=CC=CC[C@H](C)C=C([C@H](CC=C[C@H](C1)O[C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@H]2O)OC)CO)OC)C
Metabolite of Species Details
Lyngbya (NCBI:txid28073) See: DOI
ChEBI Ontology
Outgoing Biselyngbyaside F (CHEBI:227676) is a macrolide (CHEBI:25106)
IUPAC Name
(4S,5E,8S,9E,11S,13E,15E,18R)-4-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-8-methoxy-9,11-dimethyl-18-[(1E,4E)-2-methylhexa-1,4-dienyl]-1-oxacyclooctadeca-5,9,13,15-tetraen-2-one
Manual Xref Database
40256874 ChemSpider
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