EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:226054 - Spirotoamide D

ChEBI IDCHEBI:226054
ChEBI NameSpirotoamide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H47NO5
Net Charge0
Average Mass465.675
Monoisotopic Mass465.34542
SMILESCCC(/C=C/C(N)=O)=C\CCC(CO)CC(C)[C@H]1C[C@H](O)[C@H](C)[C@@]2(C1)C[C@@H](O)[C@H](C)[C@@H](C)O2
InChIInChI=1S/C27H47NO5/c1-6-21(10-11-26(28)32)8-7-9-22(16-29)12-17(2)23-13-24(30)19(4)27(14-23)15-25(31)18(3)20(5)33-27/h8,10-11,17-20,22-25,29-31H,6-7,9,12-16H2,1-5H3,(H2,28,32)/b11-10+,21-8+/t17?,18-,19+,20-,22?,23+,24+,25-,27-/m1/s1
InChIKeyPHXYBYWODHKWQV-JIYSBJGMSA-N
Species of MetaboliteComponentSourceComments
Streptomyces griseochromogenes (ncbitaxon:68214) - PubMed (28196980)
ChEBI Ontology
Outgoing Relation(s)
Spirotoamide D (CHEBI:226054) is a p-menthane monoterpenoid (CHEBI:25186)
IUPAC Name 
(2E,4E)-10-[(2R,3S,4R,6R,8S,10S,11S)-4,10-dihydroxy-2,3,11-trimethyl-1-oxaspiro[5.5]undecan-8-yl]-4-ethyl-8-(hydroxymethyl)undeca-2,4-dienamide
Manual XrefsDatabases
78438800ChemSpider