CHEBI:3188 - Bruceantin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Bruceantin
ChEBI ID CHEBI:3188
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C28H36O11
Net Charge 0
Average Mass 548.580
Monoisotopic Mass 548.22576
InChI InChI=1S/C28H36O11/c1-11(2)12(3)7-17(30)39-20-22-27-10-37-28(22,25(35)36-6)23(33)19(32)21(27)26(5)9-15(29)18(31)13(4)14(26)8-16(27)38-24(20)34/h7,11,14,16,19-23,31-33H,8-10H2,1-6H3/b12-7+/t14-,16+,19+,20+,21+,22+,23-,26-,27+,28-/m0/s1
InChIKey IRQXZTBHNKVIRL-GOTQHHPNSA-N
SMILES COC(=O)[C@]12OC[C@@]34[C@H]1[C@@H](OC(=O)\C=C(/C)C(C)C)C(=O)O[C@@H]3C[C@H]1C(C)=C(O)C(=O)C[C@]1(C)[C@H]4[C@@H](O)[C@@H]2O
ChEBI Ontology
Outgoing Bruceantin (CHEBI:3188) is a triterpenoid (CHEBI:36615)
Synonym Source
Bruceantin KEGG COMPOUND
Manual Xrefs Databases
C00003699 KNApSAcK
C08749 KEGG COMPOUND
View more database links
Registry Number Type Source
41451-75-6 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014