CHEBI:2620 - amaralin

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ChEBI Name amaralin
ChEBI ID CHEBI:2620
Definition An azulenofuran that is decahydrooxireno[1,2]azuleno[6,5-b]furan-5(1aH)-one substituted by a hydroxy group at position 8, methyl groups at positions 2 and 7a and a methylidene group at position 6.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C15H20O4
Net Charge 0
Average Mass 264.31690
Monoisotopic Mass 264.13616
InChI InChI=1S/C15H20O4/c1-6-4-9-8(7(2)14(17)18-9)5-15(3)10(6)11-12(19-11)13(15)16/h6,8-13,16H,2,4-5H2,1,3H3/t6-,8-,9+,10-,11-,12-,13+,15+/m1/s1
InChIKey XPNBRTWIMIGGMT-MIPSWGQUSA-N
SMILES CC1CC2OC(=O)C(=C)C2CC2(C)C(O)C3OC3C12
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing amaralin (CHEBI:2620) has role plant metabolite (CHEBI:76924)
amaralin (CHEBI:2620) is a azulenofuran (CHEBI:39433)
amaralin (CHEBI:2620) is a sesquiterpene lactone (CHEBI:37667)
IUPAC Name
(1aR,1bS,2R,3aS,6aR,7aS,8R,8aS)-8-hydroxy-2,7a-dimethyl-6-methylidenedecahydrooxireno[1,2]azuleno[6,5-b]furan-5(1aH)-one
Synonym Source
Amaralin KEGG COMPOUND
Manual Xrefs Databases
C00003209 KNApSAcK
C09291 KEGG COMPOUND
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Registry Numbers Types Sources
1349112 Reaxys Registry Number Reaxys
6831-10-3 CAS Registry Number KEGG COMPOUND
6831-10-3 CAS Registry Number ChemIDplus
Last Modified
09 February 2015