CHEBI:210964 - Malyngolide dimer

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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 Malyngolide dimer
ChEBI ID CHEBI:210964
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H60O6
Net Charge 0
Average Mass 540.826
Monoisotopic Mass 540.43899
InChI InChI=1S/C32H60O6/c1-5-7-9-11-13-15-17-21-31(25-33)23-19-27(3)30(36)38-32(26-34,24-20-28(4)29(35)37-31)22-18-16-14-12-10-8-6-2/h27-28,33-34H,5-26H2,1-4H3/t27-,28-,31+,32+/m1/s1
InChIKey YUKFGKYWDWLMAR-CKROWEISSA-N
SMILES O=C1O[C@@](CC[C@H](C(=O)O[C@@](CC[C@H]1C)(CO)CCCCCCCCC)C)(CO)CCCCCCCCC
Metabolite of Species Details
Lyngbya majuscula (NCBI:txid158786) See: PubMed
ChEBI Ontology
Outgoing Malyngolide dimer (CHEBI:210964) is a macrolide (CHEBI:25106)
IUPAC Name
(3R,6S,9R,12S)-6,12-bis(hydroxymethyl)-3,9-dimethyl-6,12-di(nonyl)-1,7-dioxacyclododecane-2,8-dione
Manual Xref Database
24675719 ChemSpider
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