EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:221795 - Shuangdaolide C

ChEBI IDCHEBI:221795
ChEBI NameShuangdaolide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H44O8
Net Charge0
Average Mass568.707
Monoisotopic Mass568.30362
SMILESCC1=C(O)C(=O)[C@@H]2/C=C\[C@H](O)C[C@H](O)[C@H](C)[C@@H]([C@H](C)CCc3ccco3)OC(=O)C/C=C(\C)[C@H](O)/C=C(\C)C=C[C@@H]12
InChIInChI=1S/C33H44O8/c1-19-8-13-26-22(4)31(38)32(39)27(26)14-11-24(34)18-29(36)23(5)33(21(3)9-12-25-7-6-16-40-25)41-30(37)15-10-20(2)28(35)17-19/h6-8,10-11,13-14,16-17,21,23-24,26-29,33-36,38H,9,12,15,18H2,1-5H3/b13-8?,14-11-,19-17+,20-10+/t21-,23+,24+,26+,27-,28-,29+,33-/m1/s1
InChIKeySUTCVGPOGHIEQM-KEUHMNNESA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (34388000)
ChEBI Ontology
Outgoing Relation(s)
Shuangdaolide C (CHEBI:221795) is a macrolide (CHEBI:25106)