CHEBI:3460 - Castelanone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Castelanone
ChEBI ID CHEBI:3460
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C25H34O9
Net Charge 0
Average Mass 478.533
Monoisotopic Mass 478.22028
InChI InChI=1S/C25H34O9/c1-10(2)6-16(27)34-18-17-12(4)19(28)25(31)22-23(5)13(11(3)7-14(26)20(23)29)8-15(33-21(18)30)24(17,22)9-32-25/h7,10,12-13,15,17-20,22,28-29,31H,6,8-9H2,1-5H3/t12-,13+,15-,17-,18-,19-,20-,22-,23-,24+,25+/m1/s1
InChIKey XYGCQTNZODZWCL-RWTXECNMSA-N
SMILES CC(C)CC(=O)O[C@@H]1[C@H]2[C@@H](C)[C@@H](O)[C@]3(O)OC[C@@]22[C@H]3[C@@]3(C)[C@H](O)C(=O)C=C(C)[C@@H]3C[C@H]2OC1=O
ChEBI Ontology
Outgoing Castelanone (CHEBI:3460) is a triterpenoid (CHEBI:36615)
Synonym Source
Castelanone KEGG COMPOUND
Manual Xrefs Databases
C00003705 KNApSAcK
C08755 KEGG COMPOUND
View more database links
Registry Number Type Source
70424-54-3 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014