CHEBI:217440 - Carneamide B

ChEBI IDCHEBI:217440
ChEBI NameCarneamide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H29N3O3
Net Charge0
Average Mass443.547
Monoisotopic Mass443.22089
SMILESCC1(C)C=Cc2cc3c4c(nc3cc2O1)C(C)(C)C=CN1C(=O)C2=CCCN2C(=O)[C@]1(C)C4
InChIInChI=1S/C27H29N3O3/c1-25(2)10-12-30-23(31)20-7-6-11-29(20)24(32)27(30,5)15-18-17-13-16-8-9-26(3,4)33-21(16)14-19(17)28-22(18)25/h7-10,12-14,28H,6,11,15H2,1-5H3/t27-/m0/s1
InChIKeyOOKYVFOLITUCQV-MHZLTWQESA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (22658281)
ChEBI Ontology
Outgoing Relation(s)
Carneamide B (CHEBI:217440) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(3S)-3,14,14,21,21-pentamethyl-20-oxa-5,11,16-triazahexacyclo[13.11.0.03,11.05,9.017,26.019,24]hexacosa-1(15),8,12,17(26),18,22,24-heptaene-4,10-dione