CHEBI:8416 - Pristimerin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Pristimerin
ChEBI ID CHEBI:8416
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C30H40O4
Net Charge 0
Average Mass 464.637
Monoisotopic Mass 464.29266
InChI InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1
InChIKey JFACETXYABVHFD-WXPPGMDDSA-N
SMILES COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(C)=C(O)C(=O)C=C5[C@]4(C)CC[C@@]3(C)[C@@H]2C1
ChEBI Ontology
Outgoing Pristimerin (CHEBI:8416) is a carboxylic ester (CHEBI:33308)
Synonym Source
Pristimerin KEGG COMPOUND
Manual Xrefs Databases
C00003753 KNApSAcK
C08633 KEGG COMPOUND
View more database links
Registry Number Type Source
1258-84-0 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014