CHEBI:3321 - Callicarpone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Callicarpone
ChEBI ID CHEBI:3321
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H28O4
Net Charge 0
Average Mass 332.435
Monoisotopic Mass 332.19876
InChI InChI=1S/C20H28O4/c1-17(2)7-6-8-19(5)13(17)9-12(21)11-10-20(18(3,4)23)16(24-20)15(22)14(11)19/h13,16,23H,6-10H2,1-5H3/t13-,16+,19-,20-/m0/s1
InChIKey USEISAATSWUIGG-MVHCQYFOSA-N
SMILES CC(C)(O)[C@]12CC3=C(C(=O)[C@H]1O2)[C@@]1(C)CCCC(C)(C)[C@@H]1CC3=O
ChEBI Ontology
Outgoing Callicarpone (CHEBI:3321) is a diterpenoid (CHEBI:23849)
Synonym Source
Callicarpone KEGG COMPOUND
Manual Xrefs Databases
C00003408 KNApSAcK
C09067 KEGG COMPOUND
View more database links
Registry Number Type Source
5938-11-4 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014