CHEBI:224015 - Lasalocid E

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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 Lasalocid E
ChEBI ID CHEBI:224015
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C35H56O8
Net Charge 0
Average Mass 604.825
Monoisotopic Mass 604.39752
InChI InChI=1S/C35H56O8/c1-9-24-19-35(12-4,27-17-18-34(41,11-3)23(8)42-27)43-32(24)26(10-2)31(38)22(7)29(36)20(5)13-15-25-16-14-21(6)30(37)28(25)33(39)40/h14,16,20,22-24,26-27,29,32,36-37,41H,9-13,15,17-19H2,1-8H3,(H,39,40)/t20-,22+,23+,24+,26+,27-,29+,32+,34-,35+/m1/s1
InChIKey RXCDHVAYLRJHOW-JXAGNTGFSA-N
SMILES O=C(O)C1=C(O)C(=CC=C1CC[C@H]([C@H](O)[C@@H](C(=O)[C@@H]([C@H]2O[C@@]([C@@H]3O[C@H]([C@@](O)(CC)CC3)C)(CC)C[C@@H]2CC)CC)C)C)C
Metabolite of Species Details
Streptomyces lasalocidi (NCBI:txid324833) See: PubMed
ChEBI Ontology
Outgoing Lasalocid E (CHEBI:224015) is a diterpene glycoside (CHEBI:71939)
IUPAC Name
6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-3,5-diethyl-5-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]oxolan-2-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid
Manual Xref Database
8614040 ChemSpider
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