EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:221784 - Shuangdaolide A

ChEBI IDCHEBI:221784
ChEBI NameShuangdaolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H44O8
Net Charge0
Average Mass568.707
Monoisotopic Mass568.30362
SMILESC/C1=C/C=C/C(C)=C/[C@@H](O)/C(C)=C/CC(=O)O[C@H]([C@H](C)[C@@H]2O[C@]3(C=CCO3)CC[C@H]2C)C[C@H]2O[C@@H]2/C=C/[C@H](O)C1=O
InChIInChI=1S/C33H44O8/c1-20-8-6-9-22(3)31(37)25(34)11-12-27-29(39-27)19-28(40-30(36)13-10-21(2)26(35)18-20)24(5)32-23(4)14-16-33(41-32)15-7-17-38-33/h6-12,15,18,23-29,32,34-35H,13-14,16-17,19H2,1-5H3/b8-6+,12-11+,20-18+,21-10+,22-9-/t23-,24+,25+,26-,27-,28+,29-,32-,33-/m1/s1
InChIKeyKHBWYHLUQNXRLV-BJWRLOKOSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (34388000)
ChEBI Ontology
Outgoing Relation(s)
Shuangdaolide A (CHEBI:221784) is a terpene lactone (CHEBI:37668)