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CHEBI:210659 - Lucensimycin B

ChEBI IDCHEBI:210659
ChEBI NameLucensimycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H34O10
Net Charge0
Average Mass542.581
Monoisotopic Mass542.21520
SMILESCC(=O)O[C@@H]1C[C@H]2[C@@H](C=C[C@H]3C[C@@H](C=CC=CC=CC(=O)O)[C@@]4(C(=O)OC(CO)C4=O)C(=O)[C@@]32C)[C@H](O)[C@H]1C
InChIInChI=1S/C29H34O10/c1-15-21(38-16(2)31)13-20-19(24(15)34)11-10-17-12-18(8-6-4-5-7-9-23(32)33)29(26(36)28(17,20)3)25(35)22(14-30)39-27(29)37/h4-11,15,17-22,24,30,34H,12-14H2,1-3H3,(H,32,33)/t15-,17-,18+,19+,20-,21+,22?,24+,28-,29-/m0/s1
InChIKeyUNCBZODCSVGKDO-WVXLRZHYSA-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 B (CHEBI:210659) is a phenanthrenes (CHEBI:25961)
IUPAC Name 
7-[(2S,3R,4aS,4bS,6R,7R,8S,8aR,10aR)-6-acetyloxy-8-hydroxy-5'-(hydroxymethyl)-4a,7-dimethyl-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