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CHEBI:182751 - N-[(E,3R,4R,5R,9S,10S,11S)-11-[(1S,3S,5S,7R,8S,9R,12E,14E,17S,19R)-4,17-Dihydroxy-3,5,7-trimethoxy-4,8,14-trimethyl-11-oxo-10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-trien-9-yl]-10-hydroxy-4-methoxy-3,5,9-trimethyl-6-oxododec-1-enyl]-N-methylformamide

ChEBI IDCHEBI:182751
ChEBI NameN-[(E,3R,4R,5R,9S,10S,11S)-11-[(1S,3S,5S,7R,8S,9R,12E,14E,17S,19R)-4,17-Dihydroxy-3,5,7-trimethoxy-4,8,14-trimethyl-11-oxo-10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-trien-9-yl]-10-hydroxy-4-methoxy-3,5,9-trimethyl-6-oxododec-1-enyl]-N-methylformamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H75NO12
Net Charge0
Average Mass822.090
Monoisotopic Mass821.52893
SMILES[H][C@]12CC=C[C@@]([H])(C[C@@H](O)C/C=C(C)/C=C/C(=O)O[C@]([H])([C@@H](C)[C@@H](O)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O)[C@@H](C)[C@H](OC)C[C@H](OC)C(C)(O)[C@@H](OC)C1)O2
InChIInChI=1S/C45H75NO12/c1-28-16-19-34(48)24-35-14-13-15-36(57-35)25-39(54-10)45(7,52)40(55-11)26-38(53-9)32(5)44(58-41(50)21-17-28)33(6)42(51)29(2)18-20-37(49)31(4)43(56-12)30(3)22-23-46(8)27-47/h13-14,16-17,21-23,27,29-36,38-40,42-44,48,51-52H,15,18-20,24-26H2,1-12H3/b21-17+,23-22+,28-16+/t29-,30+,31-,32-,33-,34-,35-,36-,38+,39-,40-,42-,43+,44-,45?/m0/s1
InChIKeyDWQQWNRHLJPIDV-QMWBYZKLSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(E,3R,4R,5R,9S,10S,11S)-11-[(1S,3S,5S,7R,8S,9R,12E,14E,17S,19R)-4,17-Dihydroxy-3,5,7-trimethoxy-4,8,14-trimethyl-11-oxo-10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-trien-9-yl]-10-hydroxy-4-methoxy-3,5,9-trimethyl-6-oxododec-1-enyl]-N-methylformamide (CHEBI:182751) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
N-[(E,3R,4R,5R,9S,10S,11S)-11-[(1S,3S,5S,7R,8S,9R,12E,14E,17S,19R)-4,17-dihydroxy-3,5,7-trimethoxy-4,8,14-trimethyl-11-oxo-10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-trien-9-yl]-10-hydroxy-4-methoxy-3,5,9-trimethyl-6-oxododec-1-enyl]-N-methylormamide
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