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CHEBI:8194 - Phytolaccoside B

Default Structure
ChEBI IDCHEBI:8194
ChEBI NamePhytolaccoside B
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC36H56O11
Net Charge0
Average Mass664.833
Monoisotopic Mass664.38226
SMILES[H][C@]12CC=C3[C@]4([H])C[C@@](C)(C(=O)OC)CC[C@]4(C(=O)O)CC[C@@]3(C)[C@]1(C)CC[C@]1([H])[C@]2(C)C[C@H](O)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@]1(C)CO
InChIInChI=1S/C36H56O11/c1-31(30(44)45-6)11-13-36(29(42)43)14-12-34(4)19(20(36)15-31)7-8-24-32(2)16-21(38)27(47-28-26(41)25(40)22(39)17-46-28)33(3,18-37)23(32)9-10-35(24,34)5/h7,20-28,37-41H,8-18H2,1-6H3,(H,42,43)/t20-,21-,22+,23+,24+,25-,26+,27-,28-,31-,32-,33-,34+,35+,36-/m0/s1
InChIKeySFZVDNKTWPZIJG-ACNZYQHGSA-N
ChEBI Ontology
Outgoing Relation(s)
Phytolaccoside B (CHEBI:8194) is a triterpenoid (CHEBI:36615)
Synonym  Source
Phytolaccoside BKEGG COMPOUND
Manual XrefsDatabases
C00003542KNApSAcK
C08968KEGG COMPOUND
Registry NumbersSources
CAS:60820-94-2KEGG COMPOUND