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CHEBI:210833 - Guignardone P

ChEBI IDCHEBI:210833
ChEBI NameGuignardone P
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H26O5
Net Charge0
Average Mass322.401
Monoisotopic Mass322.17802
SMILESCOC(C)(C)[C@@H]1CC[C@@]2(C)OC3=C(C[C@@H]12)C(=O)[C@]1(O)CO[C@H]3C1
InChIInChI=1S/C18H26O5/c1-16(2,21-4)11-5-6-17(3)12(11)7-10-14(23-17)13-8-18(20,9-22-13)15(10)19/h11-13,20H,5-9H2,1-4H3/t11-,12+,13+,17-,18-/m1/s1
InChIKeyJVUNGKKTZPIEMK-RDLJHEDLSA-N
Species of MetaboliteComponentSourceComments
Guignardia (ncbitaxon:55180) - PubMed (26703548)
ChEBI Ontology
Outgoing Relation(s)
Guignardone P (CHEBI:210833) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1S,4R,7R,8S,12R)-12-hydroxy-7-(2-methoxypropan-2-yl)-4-methyl-3,14-dioxatetracyclo[10.2.1.02,10.04,8]pentadec-2(10)-en-11-one
Manual XrefsDatabases
78441308ChemSpider