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CHEBI:207757 - Botrysphin F

ChEBI IDCHEBI:207757
ChEBI NameBotrysphin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H34O9
Net Charge0
Average Mass502.560
Monoisotopic Mass502.22028
SMILESC=C[C@@]1(C)CCC2=C(C(=O)C(O)=C3C(C)(C)CCC[C@]23C(=O)O[C@@H]2C(=O)C=C(OC)[C@@H](O)[C@H]2O)[C@H]1O
InChIInChI=1S/C27H34O9/c1-6-26(4)11-8-13-16(23(26)33)18(30)20(32)22-25(2,3)9-7-10-27(13,22)24(34)36-21-14(28)12-15(35-5)17(29)19(21)31/h6,12,17,19,21,23,29,31-33H,1,7-11H2,2-5H3/t17-,19-,21-,23-,26+,27+/m1/s1
InChIKeyKNJMRYQZTUIHDO-RDTVVEQOSA-N
Species of MetaboliteComponentSourceComments
Neofusicoccum laricinum (ncbitaxon:121618) - PubMed (28609099)
ChEBI Ontology
Outgoing Relation(s)
Botrysphin F (CHEBI:207757) is a 19-oxo steroid (CHEBI:38149)
IUPAC Name 
[(1S,5S,6R)-5,6-dihydroxy-4-methoxy-2-oxocyclohex-3-en-1-yl] (4aS,7R,8S)-7-ethenyl-8,10-dihydroxy-1,1,7-trimethyl-9-oxo-2,3,4,5,6,8-hexahydrophenanthrene-4a-carboxylate
Manual XrefsDatabases
78441643ChemSpider