CHEBI:216680 - Dracolactam B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Dracolactam B
ChEBI ID CHEBI:216680
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H39NO6
Net Charge 0
Average Mass 485.621
Monoisotopic Mass 485.27774
InChI InChI=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
InChIKey IBPSAUOEWFUOFF-FURMOBNQSA-N
SMILES O=C1N[C@H](C[C@@H](O)C=CC=CC(=CC=C[C@@H]2O[C@H]([C@@H]([C@@H]([C@H](C=CC=CC=C1)C)O)O)C[C@H]2O)C)C
ChEBI Ontology
Outgoing 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