EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:216680 - Dracolactam B

ChEBI IDCHEBI:216680
ChEBI NameDracolactam B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H39NO6
Net Charge0
Average Mass485.621
Monoisotopic Mass485.27774
SMILESCC1=C\C=C\[C@@H]2O[C@@H](C[C@H]2O)[C@H](O)[C@H](O)[C@@H](C)/C=C/C=C/C=C/C(=O)N[C@@H](C)C[C@@H](O)/C=C\C=C\1
InChIInChI=1S/C28H39NO6/c1-19-11-8-9-14-22(30)17-21(3)29-26(32)16-7-5-4-6-13-20(2)27(33)28(34)25-18-23(31)24(35-25)15-10-12-19/h4-16,20-25,27-28,30-31,33-34H,17-18H2,1-3H3,(H,29,32)/b5-4+,11-8+,13-6+,14-9+,15-10+,16-7+,19-12+/t20-,21-,22-,23+,24-,25-,27+,28-/m0/s1
InChIKeyIBPSAUOEWFUOFF-FURMOBNQSA-N
ChEBI Ontology
Outgoing Relation(s)
Dracolactam B (CHEBI:216680) is a oxolanes (CHEBI:26912)
IUPAC Name 
(1S,2R,3R,4S,5E,7E,9E,13S,15R,16E,18E,20E,22E,24S,25R)-2,3,15,25-tetrahydroxy-4,13,20-trimethyl-27-oxa-12-azabicyclo[22.2.1]heptacosa-5,7,9,16,18,20,22-heptaen-11-one