CHEBI:3212 - Bullatacinone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Bullatacinone
ChEBI ID CHEBI:3212
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C37H66O7
Net Charge 0
Average Mass 622.917
Monoisotopic Mass 622.48085
InChI InChI=1S/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-9-8-10-13-16-19-30-27-29(26-28(2)38)37(41)42-30/h29-36,39-40H,3-27H2,1-2H3/t29-,30-,31+,32-,33-,34-,35-,36-/m1/s1
InChIKey KGGVWMAPBXIMEM-ZRTAFWODSA-N
SMILES CCCCCCCCCC[C@H](O)[C@H]1CCC(O1)[C@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCC[C@@H]1C[C@@H](CC(C)=O)C(=O)O1
ChEBI Ontology
Outgoing Bullatacinone (CHEBI:3212) is a oligosaccharide (CHEBI:50699)
Synonym Source
Bullatacinone KEGG COMPOUND
Manual Xrefs Databases
C00001302 KNApSAcK
C08470 KEGG COMPOUND
View more database links
Registry Number Type Source
123012-00-0 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014