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CHEBI:218035 - (+)-spirocochlealactone A

Default Structure
ChEBI IDCHEBI:218035
ChEBI Name(+)-spirocochlealactone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H50O8
Net Charge0
Average Mass682.854
Monoisotopic Mass682.35057
SMILESCC(C)=CCC/C(C)=C/CCC1=C[C@@]2(OC1=O)c1cc(O)ccc1OC(=O)[C@@]2(CC/C=C(\C)CCC=C(C)C)CC(=O)c1cc(O)ccc1O
InChIInChI=1S/C42H50O8/c1-27(2)11-7-13-29(5)15-9-17-31-25-42(50-39(31)47)35-24-33(44)19-21-38(35)49-40(48)41(42,22-10-16-30(6)14-8-12-28(3)4)26-37(46)34-23-32(43)18-20-36(34)45/h11-12,15-16,18-21,23-25,43-45H,7-10,13-14,17,22,26H2,1-6H3/b29-15+,30-16+/t41-,42-/m1/s1
InChIKeyXZLYASGIHCSKRD-IUZSNSRCSA-N
Species of MetaboliteComponentSourceComments
Ganoderma (ncbitaxon:5314) - PubMed (29969649)
ChEBI Ontology
Outgoing Relation(s)
(+)-spirocochlealactone A (CHEBI:218035) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(3S,4R)-3-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-3,3'-bis[(3E)-4,8-dimethylnona-3,7-dienyl]-6-hydroxyspiro[chromene-4,5'-uran]-2,2'-dione