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CHEBI:214239 - Botrysphin I

ChEBI IDCHEBI:214239
ChEBI NameBotrysphin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H36O8
Net Charge0
Average Mass488.577
Monoisotopic Mass488.24102
SMILESC=C[C@]1(C)C=C2C(=O)C[C@H]3C(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/C27H36O8/c1-6-25(4)10-11-27(33)15(14-25)16(28)13-19-24(2,3)8-7-9-26(19,27)23(32)35-22-17(29)12-18(34-5)20(30)21(22)31/h6,12,14,19-22,30-31,33H,1,7-11,13H2,2-5H3/t19-,20+,21+,22+,25-,26-,27+/m0/s1
InChIKeyNQZUGDCNCPWKMJ-SUNJEODKSA-N
Species of MetaboliteComponentSourceComments
Neofusicoccum laricinum (ncbitaxon:121618) - PubMed (33069833)
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 I (CHEBI:214239) is a phenanthrenes (CHEBI:25961)
IUPAC Name 
[(1S,5S,6R)-5,6-dihydroxy-4-methoxy-2-oxocyclohex-3-en-1-yl] (4aR,4bR,7R,10aS)-7-ethenyl-4b-hydroxy-1,1,7-trimethyl-9-oxo-3,4,5,6,10,10a-hexahydro-2H-phenanthrene-4a-carboxylate