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CHEBI:189273 - Ansalactam C

ChEBI IDCHEBI:189273
ChEBI NameAnsalactam C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H41NO7
Net Charge0
Average Mass563.691
Monoisotopic Mass563.28830
SMILES[H][C@]12[C@@H](CC(C)C)C(=O)N[C@@]13C[C@](O)(c1cc(O)c(C)cc1C3=O)[C@@]2(C)C(=O)/C(C)=C/[C@H](C)/C=C(C)\C=C(/C)C(=O)O
InChIInChI=1S/C33H41NO7/c1-16(2)9-23-26-31(8,27(36)20(6)11-17(3)10-18(4)12-21(7)30(39)40)33(41)15-32(26,34-29(23)38)28(37)22-13-19(5)25(35)14-24(22)33/h10-14,16-17,23,26,35,41H,9,15H2,1-8H3,(H,34,38)(H,39,40)/b18-10-,20-11+,21-12+/t17-,23-,26-,31-,32+,33+/m1/s1
InChIKeyUNNUAXAWYMYKNS-JONRZWRESA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) leaf (BTO:0000713) MetaboLights (MTBLS3997)
Streptomycesspecies (ncbitaxon:1931) - PubMed (27120128)
ChEBI Ontology
Outgoing Relation(s)
Ansalactam C (CHEBI:189273) is a sesquiterpenoid (CHEBI:26658)
IUPAC Names 
(2E,4Z,6R,7E)-9-[(1S,9S,10S,11R,12R)-6,9-dihydroxy-5,10-dimethyl-12-(2-methylpropyl)-2,13-dioxo-14-azatetracyclo[7.5.1.01,11.03,8]pentadeca-3(8),4,6-trien-10-yl]-2,4,6,8-tetramethyl-9-oxonona-2,4,7-trienoic acid
(2E,4Z,6R,7E)-9-[(1S,9S,10S,11S,12R)-6,9-dihydroxy-5,10-dimethyl-12-(2-methylpropyl)-2,13-dioxo-14-azatetracyclo[7.5.1.01,11.03,8]pentadeca-3(8),4,6-trien-10-yl]-2,4,6,8-tetramethyl-9-oxonona-2,4,7-trienoic acid
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