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CHEBI:203076 - Spiropolin A

ChEBI IDCHEBI:203076
ChEBI NameSpiropolin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O6
Net Charge0
Average Mass364.438
Monoisotopic Mass364.18859
SMILESC=C[C@]1(C)C=C(C(=O)O)[C@@]2(CC1)OC(=O)[C@H]1[C@](C)(CO)CC[C@@H](O)[C@@]12C
InChIInChI=1S/C20H28O6/c1-5-17(2)8-9-20(12(10-17)15(23)24)19(4)13(22)6-7-18(3,11-21)14(19)16(25)26-20/h5,10,13-14,21-22H,1,6-9,11H2,2-4H3,(H,23,24)/t13-,14+,17+,18+,19+,20-/m1/s1
InChIKeyCWLQKGVWECQEPJ-XJFXRRGNSA-N
Species of MetaboliteComponentSourceComments
Xylaria polymorpha (ncbitaxon:77046) - DOI (10.1016/j.phytol.2013.05.008)
ChEBI Ontology
Outgoing Relation(s)
Spiropolin A (CHEBI:203076) is a 2-benzofurans (CHEBI:38831)
IUPAC Name 
(1S,3'R,3aS,4R,7R,7aR)-3'-ethenyl-7-hydroxy-4-(hydroxymethyl)-3',4,7a-trimethyl-3-oxospiro[3a,5,6,7-tetrahydro-2-benzouran-1,6'-cyclohexene]-1'-carboxylic acid
Manual XrefsDatabases
78440927ChemSpider