EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:210024 - Dendryphiellide A

Default Structure
ChEBI IDCHEBI:210024
ChEBI NameDendryphiellide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H40O3
Net Charge0
Average Mass388.592
Monoisotopic Mass388.29775
SMILESC[C@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3
InChIInChI=1S/C25H40O3/c1-15(21(27)28)16-9-13-25(6)18-7-8-19-22(2,3)20(26)11-12-23(19,4)17(18)10-14-24(16,25)5/h15-16,19-20,26H,7-14H2,1-6H3,(H,27,28)/t15-,16+,19-,20-,23+,24+,25-/m0/s1
InChIKeyYLFYBBWQPHEGHW-ICDOJPABSA-N
Species of MetaboliteComponentSourceComments
Paradendryphiella (ncbitaxon:1342520) - PubMed (32260204)
ChEBI Ontology
Outgoing Relation(s)
Dendryphiellide A (CHEBI:210024) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2S)-2-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid