CHEBI:221205 - (1S,2E,7R,10Z,12E,15R,16E,18Z,21S,23R,25R)-21,25-dihydroxy-7-methyl-15-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,24-dioxabicyclo[21.1.1]pentacosa-2,10,12,16,18-pentaen-9-one

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ChEBI Name (1S,2E,7R,10Z,12E,15R,16E,18Z,21S,23R,25R)-21,25-dihydroxy-7-methyl-15-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,24-dioxabicyclo[21.1.1]pentacosa-2,10,12,16,18-pentaen-9-one
ChEBI ID CHEBI:221205
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C30H44O11
Net Charge 0
Average Mass 580.671
Monoisotopic Mass 580.28836
InChI InChI=1S/C30H44O11/c1-19-11-5-2-9-15-22-26(34)23(40-22)17-20(32)12-6-3-7-13-21(14-8-4-10-16-25(33)38-19)39-30-29(37)28(36)27(35)24(18-31)41-30/h3-4,6-10,13,15-16,19-24,26-32,34-37H,2,5,11-12,14,17-18H2,1H3/b6-3-,8-4+,13-7+,15-9+,16-10-/t19-,20+,21+,22+,23-,24-,26+,27-,28+,29-,30-/m1/s1
InChIKey RTNLIRWEBFXHOU-YTEIOAJYSA-N
SMILES O=C1O[C@@H](CCCC=C[C@@H]2O[C@H](C[C@@H](O)CC=CC=C[C@@H](CC=CC=C1)O[C@@H]3O[C@@H]([C@@H](O)[C@@H]([C@H]3O)O)CO)[C@H]2O)C
ChEBI Ontology
Outgoing (1S,2E,7R,10Z,12E,15R,16E,18Z,21S,23R,25R)-21,25-dihydroxy-7-methyl-15-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,24-dioxabicyclo[21.1.1]pentacosa-2,10,12,16,18-pentaen-9-one (CHEBI:221205) is a macrolide (CHEBI:25106)
IUPAC Name
(1S,2E,7R,10Z,12E,15R,16E,18Z,21S,23R,25R)-21,25-dihydroxy-7-methyl-15-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,24-dioxabicyclo[21.1.1]pentacosa-2,10,12,16,18-pentaen-9-one
Manual Xref Database
32675082 ChemSpider
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