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CHEBI:81104 - Alisol B

Default Structure
ChEBI IDCHEBI:81104
ChEBI NameAlisol B
Stars
DownloadsMolfile
FormulaC30H48O4
Net Charge0
Average Mass472.710
Monoisotopic Mass472.35526
SMILES[H][C@@]12[C@@H](O)CC3=C([C@H](C)C[C@H](O)[C@H]4OC4(C)C)CC[C@]3(C)[C@@]1(C)CC[C@@]1([H])C(C)(C)C(=O)CC[C@]21C
InChIInChI=1S/C30H48O4/c1-17(15-21(32)25-27(4,5)34-25)18-9-13-29(7)19(18)16-20(31)24-28(6)12-11-23(33)26(2,3)22(28)10-14-30(24,29)8/h17,20-22,24-25,31-32H,9-16H2,1-8H3/t17-,20+,21+,22+,24+,25-,28+,29+,30+/m1/s1
InChIKeyGBJKHDVRXAVITG-UNPOXIGHSA-N
ChEBI Ontology
Outgoing Relation(s)
Alisol B (CHEBI:81104) is a triterpenoid (CHEBI:36615)
Manual XrefsDatabases
C17460KEGG COMPOUND
Registry NumbersSources
CAS:18649-93-9KEGG COMPOUND