CHEBI:67670 - Macrocalin B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Macrocalin B
ChEBI ID CHEBI:67670
Definition A natural product found in Isodon adenolomus.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C20H26O6
Net Charge 0
Average Mass 362.41680
Monoisotopic Mass 362.17294
InChI InChI=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
InChIKey GSRZMSWBSLHHAD-NBPWNTTESA-N
SMILES [H][C@]12C[C@H](O)[C@@]3([H])[C@]45CCCC(C)(C)[C@@]4([H])[C@H](O)[C@@]4(O)O[C@]5([H])O[C@]1([H])[C@@]34C(=O)C2=C
Metabolite of Species Details
Isodon adenolomus (NCBI:txid662903) Found in aerial part (BTO:0001658). 70% aqueous acetone extract of air-dried and powdered aerial parts See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Number Type Source
93781-75-0 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
21534539 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:oxanes(CHEBI:46942); ISA:secondary alcohol(CHEBI:35681); ISA:polyol(CHEBI:26191); ISA:organic hydroxy compound(CHEBI:33822); ISA:hemiacetal(CHEBI:5653); ISA:ketone(CHEBI:17087); ISA:acetal(CHEBI:59769);