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CHEBI:66768 - Polacandrin

ChEBI IDCHEBI:66768
ChEBI NamePolacandrin
Stars
DefinitionA natural product found in Polanisia dodecandra.
Last Modified22 September 2014
DownloadsMolfile
FormulaC30H52O5
Net Charge0
Average Mass492.741
Monoisotopic Mass492.38147
SMILES[H][C@]12C[C@@H](O)[C@]3([H])[C@@]([H])([C@]4(C)CC[C@@H](C(C)(C)O)O4)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@H](O)C[C@@H](O)[C@]21C
InChIInChI=1S/C30H52O5/c1-25(2)19-10-13-27(5)20(30(19,8)22(33)16-21(25)32)15-18(31)24-17(9-12-28(24,27)6)29(7)14-11-23(35-29)26(3,4)34/h17-24,31-34H,9-16H2,1-8H3/t17-,18+,19-,20-,21+,22+,23-,24-,27+,28+,29-,30-/m0/s1
InChIKeyZDMWPLUKUXQVLI-QXTFULOPSA-N
Species of MetaboliteComponentSourceComments
Polanisia dodecandra (ncbitaxon:72660) whole plant (BTO:0001461) PubMed (1453183)
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Polacandrin (CHEBI:66768) has role metabolite (CHEBI:25212)
Polacandrin (CHEBI:66768) is a triterpenoid saponin (CHEBI:61778)
Synonym  Source
1beta,3alpha,12beta,25-Tetrahydroxy-20(S),24(S)-epoxydammaraneChEBI
Citations