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CHEBI:70377 - Maoecrystal M

Default Structure
ChEBI IDCHEBI:70377
ChEBI NameMaoecrystal M
Stars
DefinitionA natural product found in Isodon eriocalyx.
Last Modified22 September 2014
DownloadsMolfile
FormulaC48H64O16
Net Charge0
Average Mass897.024
Monoisotopic Mass896.41944
SMILES[H][C@@]12CC[C@@]3([H])[C@]45CC[C@H](OC(C)=O)[C@@](C)(COC(C)=O)[C@@]4([H])[C@H](O)[C@@](O)(OC5)[C@]3(C1)C(=O)[C@]21CC[C@]12C(=O)[C@]13C[C@@]2([H])CC[C@@]1([H])[C@]12CC[C@H](OC(C)=O)[C@@](C)(COC(C)=O)[C@@]1([H])[C@H](O)[C@@]3(O)OC2
InChIInChI=1S/C48H64O16/c1-23(49)59-19-39(5)31(63-25(3)51)11-13-41-21-61-47(57,35(53)33(39)41)45-17-27(7-9-29(41)45)43(37(45)55)15-16-44(43)28-8-10-30-42-14-12-32(64-26(4)52)40(6,20-60-24(2)50)34(42)36(54)48(58,62-22-42)46(30,18-28)38(44)56/h27-36,53-54,57-58H,7-22H2,1-6H3/t27-,28-,29+,30+,31+,32+,33-,34-,35+,36+,39-,40-,41-,42-,43+,44+,45+,46+,47-,48-/m1/s1
InChIKeyGSFOSFPQNGIYSN-AGYVGLKQSA-N
Species of MetaboliteComponentSourceComments
Isodon eriocalyx (IPNI:448573-1) aerial part (BTO:0001658) PubMed (20949916) 70% aqueous Me2CO 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)
Maoecrystal M (CHEBI:70377) has role metabolite (CHEBI:25212)
Maoecrystal M (CHEBI:70377) is a triterpenoid (CHEBI:36615)
Citations