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CHEBI:69791 - spicachlorantin B

Default Structure
ChEBI IDCHEBI:69791
ChEBI Namespicachlorantin B
Stars
DefinitionA natural product found in Chloranthus japonicus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC40H44O14
Net Charge0
Average Mass748.778
Monoisotopic Mass748.27311
SMILES[H][C@]12C[C@@]1([H])[C@@]1(C)[C@@]3([H])CC4=C(COC(=O)CCC(=O)OC/C=C(\C)C(=O)OC[C@]23O)C(=O)O[C@@]42C3=C4[C@](O)(C[C@]21[H])[C@@]1([H])C[C@@]1([H])[C@]4(C)[C@@H](O)[C@@]1(OC)OC(=O)C(C)=C31
InChIInChI=1S/C40H44O14/c1-16-8-9-50-26(41)6-7-27(42)51-14-18-19-12-24-35(3,20-10-23(20)38(24,48)15-52-31(16)43)25-13-37(47)22-11-21(22)36(4)30(37)29(39(19,25)53-33(18)45)28-17(2)32(44)54-40(28,49-5)34(36)46/h8,20-25,34,46-48H,6-7,9-15H2,1-5H3/b16-8+/t20-,21-,22+,23+,24-,25+,34-,35+,36+,37+,38+,39+,40+/m1/s1
InChIKeyNASSYBOEZYWDCR-CTCIEULHSA-N
Species of MetaboliteComponentSourceComments
Chloranthus japonicus (ncbitaxon:13007) whole plant (BTO:0001461) PubMed (21650224) Methanolic extract of dried and powdered plant
Roles Classification
Biological Role:
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)
spicachlorantin B (CHEBI:69791) has role metabolite (CHEBI:25212)
spicachlorantin B (CHEBI:69791) is a triterpenoid (CHEBI:36615)
Citations