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CHEBI:3212 - Bullatacinone

Default Structure
ChEBI IDCHEBI:3212
ChEBI NameBullatacinone
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC37H66O7
Net Charge0
Average Mass622.928
Monoisotopic Mass622.48085
SMILES[H][C@@]1(CCCCCCCCCC[C@@H](O)[C@@]2([H])CC[C@]([H])([C@@]3([H])CC[C@]([H])([C@@H](O)CCCCCCCCCC)O3)O2)C[C@@H](CC(C)=O)C(=O)O1
InChIInChI=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
InChIKeyKGGVWMAPBXIMEM-ZRTAFWODSA-N
ChEBI Ontology
Outgoing Relation(s)
Bullatacinone (CHEBI:3212) is a oligosaccharide (CHEBI:50699)
Synonym  Source
BullatacinoneKEGG COMPOUND
Manual XrefsDatabases
C00001302KNApSAcK
C08470KEGG COMPOUND
Registry NumbersSources
CAS:123012-00-0KEGG COMPOUND