CHEBI:204350 - 18E-lyngbyaloside C

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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 18E-lyngbyaloside C
ChEBI ID CHEBI:204350
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H49BrO10
Net Charge 0
Average Mass 649.616
Monoisotopic Mass 648.25091
InChI InChI=1S/C30H49BrO10/c1-19-11-12-21-15-22(39-28-27(37-6)26(36-5)25(35-4)20(2)38-28)16-30(34,40-21)18-24(33)41-29(3,17-23(19)32)13-9-7-8-10-14-31/h7-8,10,14,19-23,25-28,32,34H,9,11-13,15-18H2,1-6H3/b8-7+,14-10+/t19-,20+,21+,22-,23-,25+,26-,27-,28+,29-,30+/m1/s1
InChIKey CKTXZFBKOQGTIC-XPFUENKGSA-N
SMILES Br/C=C/C=C/CC[C@]1(OC(=O)C[C@]2(O[C@H](C[C@H](C2)O[C@@H]3O[C@H]([C@H](OC)[C@H]([C@H]3OC)OC)C)CC[C@H]([C@@H](C1)O)C)O)C
Metabolite of Species Details
Moorena bouillonii (NCBI:txid207920) See: PubMed
ChEBI Ontology
Outgoing 18E-lyngbyaloside C (CHEBI:204350) is a macrolide (CHEBI:25106)
IUPAC Name
(1S,5R,7R,8R,11S,13R)-5-[(3E,5E)-6-bromohexa-3,5-dienyl]-1,7-dihydroxy-5,8-dimethyl-13-[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-4,15-dioxabicyclo[9.3.1]pentadecan-3-one
Manual Xref Database
25053388 ChemSpider
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