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CHEBI:197623 - Allocyathin A4

ChEBI IDCHEBI:197623
ChEBI NameAllocyathin A4
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O4
Net Charge0
Average Mass332.440
Monoisotopic Mass332.19876
SMILESCC(CO)C1=C2[C@H]3C[C@H]4OC(O)(C=C4CO)[C@]3(C)CC[C@@]2(C)C=C1
InChIInChI=1S/C20H28O4/c1-12(10-21)14-4-5-18(2)6-7-19(3)15(17(14)18)8-16-13(11-22)9-20(19,23)24-16/h4-5,9,12,15-16,21-23H,6-8,10-11H2,1-3H3/t12?,15-,16-,18-,19-,20?/m1/s1
InChIKeyBVZWEPLMRFYTFZ-JAVSHELASA-N
Species of MetaboliteComponentSourceComments
Cyathus helenae (ncbitaxon:380658) - PubMed (5156938)
ChEBI Ontology
Outgoing Relation(s)
Allocyathin A4 (CHEBI:197623) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(2R,5S,10R,12R)-13-(hydroxymethyl)-8-(1-hydroxypropan-2-yl)-2,5-dimethyl-15-oxatetracyclo[10.2.1.02,10.05,9]pentadeca-6,8,13-trien-1-ol
Manual XrefsDatabases
78436243ChemSpider