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CHEBI:67670 - Macrocalin B

ChEBI IDCHEBI:67670
ChEBI NameMacrocalin B
Stars
DefinitionA natural product found in Isodon adenolomus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC20H26O6
Net Charge0
Average Mass362.422
Monoisotopic Mass362.17294
SMILES[H][C@@]12O[C@]3([H])[C@@]45C(=O)C(=C)[C@@]3([H])C[C@H](O)[C@@]4([H])[C@@]13CCCC(C)(C)[C@@]3([H])[C@H](O)[C@@]5(O)O2
InChIInChI=1S/C20H26O6/c1-8-9-7-10(21)11-18-6-4-5-17(2,3)12(18)14(23)20(24)19(11,13(8)22)15(9)25-16(18)26-20/h9-12,14-16,21,23-24H,1,4-7H2,2-3H3/t9-,10+,11+,12-,14+,15+,16+,18-,19+,20-/m1/s1
InChIKeyGSRZMSWBSLHHAD-NBPWNTTESA-N
Species of MetaboliteComponentSourceComments
Isodon adenolomus (ncbitaxon:662903) aerial part (BTO:0001658) PubMed (21534539) 70% aqueous acetone extract of air-dried and powdered aerial parts
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)
Macrocalin B (CHEBI:67670) has role metabolite (CHEBI:25212)
Macrocalin B (CHEBI:67670) is a dioxanes (CHEBI:46926)
Synonym  Source
ent-Kaur-16-en-15-one, 7,20:14,20-diepoxy-6,7,11-trihydroxy-,(6beta,7alpha,11beta,14S,20S)-ChEBI
Registry NumbersSources
CAS:93781-75-0ChemIDplus
Citations