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CHEBI:70397 - hyperaspidinol B

Default Structure
ChEBI IDCHEBI:70397
ChEBI Namehyperaspidinol B
Stars
DefinitionA natural product found in Hypericum chinense.
Last Modified4 June 2015
DownloadsMolfile
FormulaC32H32O9
Net Charge0
Average Mass560.599
Monoisotopic Mass560.20463
SMILES[H][C@@]12Cc3c(OC)c(C)c(O)c(C(=O)C(C)CC)c3OC1(c1ccc3c(c1)OCO3)O[C@H](c1ccc3c(c1)OCO3)C2
InChIInChI=1S/C32H32O9/c1-5-16(2)28(33)27-29(34)17(3)30(35-4)21-11-20-13-24(18-6-8-22-25(10-18)38-14-36-22)40-32(20,41-31(21)27)19-7-9-23-26(12-19)39-15-37-23/h6-10,12,16,20,24,34H,5,11,13-15H2,1-4H3/t16?,20-,24-,32?/m0/s1
InChIKeyQQKWQUVKXGHNEF-PJSQIOKLSA-N
Species of MetaboliteComponentSourceComments
Hypericum chinense (IPNI:433315-1) leaf (BTO:0000713) PubMed (21043475) 95% EtOH extract of dried, chopped leaves
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)
hyperaspidinol B (CHEBI:70397) has role metabolite (CHEBI:25212)
hyperaspidinol B (CHEBI:70397) is a ether (CHEBI:25698)
Citations