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CHEBI:66356 - Verrucoside

ChEBI IDCHEBI:66356
ChEBI NameVerrucoside
Stars
DefinitionA natural product found in Eunicella verrucosa.
Last Modified22 September 2014
DownloadsMolfile
FormulaC30H48O7
Net Charge0
Average Mass520.707
Monoisotopic Mass520.34000
SMILES[H][C@@]1(O[C@H]2[C@@H](O)CC[C@]3(C)[C@@]4([H])CC[C@]5(C)[C@@H](C=C)CC[C@@]5([H])[C@]4([H])CC[C@]23[H])O[C@@H](C)[C@@H](O)[C@@H](OC)[C@@H]1OC(C)=O
InChIInChI=1S/C30H48O7/c1-7-18-8-10-20-19-9-11-22-25(23(32)13-15-30(22,5)21(19)12-14-29(18,20)4)37-28-27(36-17(3)31)26(34-6)24(33)16(2)35-28/h7,16,18-28,32-33H,1,8-15H2,2-6H3/t16-,18-,19-,20-,21-,22+,23-,24+,25+,26+,27-,28-,29+,30+/m0/s1
InChIKeyGKECJXKITDFENW-IPYAJTQTSA-N
Species of MetaboliteComponentSourceComments
Eunicella verrucosa (ncbitaxon:396355) - PubMed (1687472)
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)
Verrucoside (CHEBI:66356) has role metabolite (CHEBI:25212)
Verrucoside (CHEBI:66356) is a steroid saponin (CHEBI:61655)
Synonyms  Source
4-beta-O-(2-O-Acetyl-alpha-L-digitalopyranosyl)-5beta-pregn-20-en-3-olChEBI
alpha-L-Galactopyranoside, (3beta,4beta,5beta)-3-hydroxypregn-20-en-4-yl 6-deoxy-3-O-methyl-, 2-acetateChEBI
Registry NumbersSources
CAS:141544-59-4ChemIDplus
Citations