CHEBI:226028 - Antarlide F

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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 Antarlide F
ChEBI ID CHEBI:226028
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H44O6
Net Charge 0
Average Mass 536.709
Monoisotopic Mass 536.31379
InChI InChI=1S/C33H44O6/c1-23-13-11-15-24(2)30(36)18-10-8-6-5-7-9-14-25(3)33(38)39-31(22-29(35)20-19-23)26(4)32(37)27-16-12-17-28(34)21-27/h5-17,21,23,26,29-32,34-37H,18-20,22H2,1-4H3/b6-5+,9-7+,10-8+,13-11+,24-15+,25-14-/t23-,26-,29-,30-,31-,32+/m0/s1
InChIKey YNAQNPGWTKBAKU-MBRHVKHQSA-N
SMILES O=C1O[C@H]([C@@H]([C@@H](O)C2=CC(O)=CC=C2)C)C[C@@H](O)CC[C@H](C=CC=C(C)[C@H](CC=CC=CC=CC=C1C)O)C
ChEBI Ontology
Outgoing Antarlide F (CHEBI:226028) is a macrolide (CHEBI:25106)
IUPAC Name
(3Z,5E,7E,9E,12S,13E,15E,17R,20S,22S)-12,20-dihydroxy-22-[(1R,2R)-1-hydroxy-1-(3-hydroxyphenyl)propan-2-yl]-3,13,17-trimethyl-1-oxacyclodocosa-3,5,7,9,13,15-hexaen-2-one