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CHEBI:228105 - Rifsaliniketal

ChEBI IDCHEBI:228105
ChEBI NameRifsaliniketal
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H43NO11
Net Charge0
Average Mass641.714
Monoisotopic Mass641.28361
SMILESC/C(=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H]1O[C@@]2(C)CC[C@H](O2)[C@H]1C)C(=O)NC1=CC(=O)c2c(C(=O)O)c(O)c(C)c(O)c2C1=O
InChIInChI=1S/C34H43NO11/c1-14(26(37)17(4)27(38)19(6)31-16(3)22-11-12-34(7,45-22)46-31)9-8-10-15(2)32(42)35-20-13-21(36)23-24(30(20)41)28(39)18(5)29(40)25(23)33(43)44/h8-10,13-14,16-17,19,22,26-27,31,37-40H,11-12H2,1-7H3,(H,35,42)(H,43,44)/b9-8+,15-10-/t14-,16+,17+,19+,22-,26-,27+,31+,34-/m0/s1
InChIKeyKSQQXAPHRYWPPL-DMAGIEAQSA-N
Species of MetaboliteComponentSourceComments
Salinispora arenicola (ncbitaxon:168697) - PubMed (27232659)
ChEBI Ontology
Outgoing Relation(s)
Rifsaliniketal (CHEBI:228105) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
6-[[(2Z,4E,6S,7S,8R,9R,10R)-10-[(1S,3S,4R,5S)-1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-3-yl]-7,9-dihydroxy-2,6,8-trimethylundeca-2,4-dienoyl]amino]-2,4-dihydroxy-3-methyl-5,8-dioxonaphthalene-1-carboxylic acid
Manual XrefsDatabases
58196879ChemSpider