CHEBI:221591 - Gynuellalide

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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 Gynuellalide
ChEBI ID CHEBI:221591
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C39H60O12
Net Charge 0
Average Mass 720.897
Monoisotopic Mass 720.40848
InChI InChI=1S/C39H60O12/c1-21-12-25-17-26(49-38(25)47)10-8-7-9-11-35(45)51-32-19-27(13-21)48-36(32)31(42)14-22(2)15-33(43)39(5,6)34(44)20-30(41)24(4)29(40)18-28-16-23(3)37(46)50-28/h9,11-12,14,24-34,36,38,40-44,47H,3,7-8,10,13,15-20H2,1-2,4-6H3/b11-9+,21-12?,22-14+
InChIKey LVHSUTYBNXAATD-RNLQRBKUSA-N
SMILES O=C1OC2C(OC(C2)CC(=CC3CC(CCCC=C1)OC3O)C)C(O)/C=C(/CC(O)C(C(O)CC(O)C(C(O)CC4OC(=O)C(C4)=C)C)(C)C)\C
Metabolite of Species Details
Gynuella sunshinyii (NCBI:txid1445505) See: PubMed
ChEBI Ontology
Outgoing Gynuellalide (CHEBI:221591) is a macrolide (CHEBI:25106)