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CHEBI:217583 - Lucensimycin A

ChEBI IDCHEBI:217583
ChEBI NameLucensimycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H32O9
Net Charge0
Average Mass524.566
Monoisotopic Mass524.20463
SMILESC=C1OC(=O)[C@@]2(C1=O)C(=O)[C@@]1(C)[C@@H](C=C[C@H]3[C@H](O)[C@@H](C)[C@H](OC(C)=O)C[C@@H]31)C[C@H]2C=CC=CC=CC(=O)O
InChIInChI=1S/C29H32O9/c1-15-22(38-17(3)30)14-21-20(24(15)33)12-11-18-13-19(9-7-5-6-8-10-23(31)32)29(26(35)28(18,21)4)25(34)16(2)37-27(29)36/h5-12,15,18-22,24,33H,2,13-14H2,1,3-4H3,(H,31,32)/t15-,18-,19+,20+,21-,22+,24+,28-,29-/m0/s1
InChIKeyBWLNMHRUYCQUPW-PJQPDCIQSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (17107044)
Roles Classification
Biological Role:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
ChEBI Ontology
Outgoing Relation(s)
Lucensimycin A (CHEBI:217583) is a phenanthrenes (CHEBI:25961)
IUPAC Name 
7-[(2S,3R,4aS,4bS,6R,7R,8S,8aR,10aR)-6-acetyloxy-8-hydroxy-4a,7-dimethyl-5'-methylidene-2',4,4'-trioxospiro[2,4b,5,6,7,8,8a,10a-octahydro-1H-phenanthrene-3,3'-oxolane]-2-yl]hepta-2,4,6-trienoic acid