CHEBI:2592 - Allamandin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Allamandin
ChEBI ID CHEBI:2592
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C15H16O7
Net Charge 0
Average Mass 308.284
Monoisotopic Mass 308.08960
InChI InChI=1S/C15H16O7/c1-3-6-10-15(22-11(6)16)5-4-7-8(12(17)19-2)13(18)21-14(20-10)9(7)15/h3-5,7-10,13-14,18H,1-2H3/b6-3+/t7-,8-,9-,10+,13+,14+,15+/m1/s1
InChIKey UEOKCUGZTJHPBW-AAKUPCIZSA-N
SMILES COC(=O)[C@H]1[C@H]2C=C[C@@]34OC(=O)\C(=C\C)[C@@H]3O[C@@H](O[C@@H]1O)[C@@H]24
ChEBI Ontology
Outgoing Allamandin (CHEBI:2592) is a terpene lactone (CHEBI:37668)
Synonym Source
Allamandin KEGG COMPOUND
Manual Xrefs Databases
C00003069 KNApSAcK
C09766 KEGG COMPOUND
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Registry Number Type Source
51820-82-7 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014