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CHEBI:207752 - Botrysphin E

ChEBI IDCHEBI:207752
ChEBI NameBotrysphin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H34O9
Net Charge0
Average Mass502.560
Monoisotopic Mass502.22028
SMILESC=C[C@]1(C)C=C2C(=O)C(O)=C3C(C)(C)CCC[C@]3(C(=O)O[C@H]3C(=O)C=C(OC)[C@@H](O)[C@H]3O)[C@@]2(O)CC1
InChIInChI=1S/C27H34O9/c1-6-25(4)10-11-27(34)14(13-25)17(29)20(32)22-24(2,3)8-7-9-26(22,27)23(33)36-21-15(28)12-16(35-5)18(30)19(21)31/h6,12-13,18-19,21,30-32,34H,1,7-11H2,2-5H3/t18-,19-,21+,25+,26+,27-/m1/s1
InChIKeyQRKUDJZMRTVQRY-SJJDIPSKSA-N
Species of MetaboliteComponentSourceComments
Neofusicoccum laricinum (ncbitaxon:121618) - PubMed (28609099)
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)
Botrysphin E (CHEBI:207752) is a phenanthrenes (CHEBI:25961)
IUPAC Name 
[(1R,5S,6R)-5,6-dihydroxy-4-methoxy-2-oxocyclohex-3-en-1-yl] (4aR,4bR,7R)-7-ethenyl-4b,10-dihydroxy-1,1,7-trimethyl-9-oxo-3,4,5,6-tetrahydro-2H-phenanthrene-4a-carboxylate
Manual XrefsDatabases
78441642ChemSpider