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CHEBI:200133 - Lucensimycin C

ChEBI IDCHEBI:200133
ChEBI NameLucensimycin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H34O10
Net Charge0
Average Mass542.581
Monoisotopic Mass542.21520
SMILESC=C(OC(=O)[C@@H]1C(=O)[C@@]2(C)[C@@H](C=C[C@H]3[C@H](O)[C@@H](C)[C@H](OC(C)=O)C[C@@H]32)C[C@H]1/C=C/C=C/C=C/C(=O)O)C(=O)O
InChIInChI=1S/C29H34O10/c1-15-22(39-17(3)30)14-21-20(25(15)33)12-11-19-13-18(9-7-5-6-8-10-23(31)32)24(26(34)29(19,21)4)28(37)38-16(2)27(35)36/h5-12,15,18-22,24-25,33H,2,13-14H2,1,3-4H3,(H,31,32)(H,35,36)/b6-5+,9-7+,10-8+/t15-,18+,19-,20+,21-,22+,24-,25+,29-/m0/s1
InChIKeyHWOQCCLLSGFOCF-QDMUNGEASA-N
Species of MetaboliteComponentSourceComments
Streptomyces lucensis (ncbitaxon:67319) - DOI (10.1016/j.tetlet.2008.02.092)
ChEBI Ontology
Outgoing Relation(s)
Lucensimycin C (CHEBI:200133) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(2E,4E,6E)-7-[(2S,3S,4aS,4bS,6R,7R,8S,8aR,10aR)-6-acetyloxy-3-(1-carboxyethenoxycarbonyl)-8-hydroxy-4a,7-dimethyl-4-oxo-1,2,3,4b,5,6,7,8,8a,10a-decahydrophenanthren-2-yl]hepta-2,4,6-trienoic acid
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