CHEBI:206339 - Leptolyngbyolide 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 Leptolyngbyolide C
ChEBI ID CHEBI:206339
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C41H70O10
Net Charge 0
Average Mass 723.001
Monoisotopic Mass 722.49690
InChI InChI=1S/C41H70O10/c1-25-14-17-31(42)21-32-12-11-13-33(50-32)23-36(46-8)28(4)37(47-9)24-38(48-10)29(5)41(51-39(43)19-15-25)30(6)40(44)26(2)16-18-34-22-35(45-7)20-27(3)49-34/h11-12,14-15,19,26-38,40-42,44H,13,16-18,20-24H2,1-10H3/b19-15+,25-14+/t26-,27-,28+,29-,30-,31-,32-,33-,34-,35+,36-,37-,38+,40-,41-/m0/s1
InChIKey XIDJAWCQNJMXID-JQKQTBLXSA-N
SMILES O=C1O[C@@H]([C@H]([C@H](OC)C[C@H](OC)[C@@H]([C@@H](OC)C[C@@H]2CC=C[C@@H](C[C@H](CC=C(C=C1)C)O)O2)C)C)[C@H]([C@@H](O)[C@H](CC[C@@H]3O[C@H](C[C@H](C3)OC)C)C)C
Metabolite of Species Details
Leptolyngbyaspecies (NCBI:txid47254) See: PubMed
ChEBI Ontology
Outgoing Leptolyngbyolide C (CHEBI:206339) is a macrolide (CHEBI:25106)
IUPAC Name
(1R,3S,5E,7E,11R,12S,13R,15S,16R,17S,19S)-3-hydroxy-11-[(2S,3S,4S)-3-hydroxy-6-[(2S,4R,6S)-4-methoxy-6-methyloxan-2-yl]-4-methylhexan-2-yl]-13,15,17-trimethoxy-6,12,16-trimethyl-10,23-dioxabicyclo[17.3.1]tricosa-5,7,21-trien-9-one
Manual Xref Database
61708739 ChemSpider
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