CHEBI:70377 - Maoecrystal M

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Maoecrystal M
ChEBI ID CHEBI:70377
Definition A natural product found in Isodon eriocalyx.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C48H64O16
Net Charge 0
Average Mass 897.01220
Monoisotopic Mass 896.41944
InChI InChI=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
InChIKey GSFOSFPQNGIYSN-AGYVGLKQSA-N
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@]11C(=O)[C@]23C[C@@]1([H])CC[C@@]2([H])[C@]12CC[C@H](OC(C)=O)[C@@](C)(COC(C)=O)[C@@]1([H])[C@H](O)[C@@]3(O)OC2
Metabolite of Species Details
Isodon eriocalyx (IPNI:448573-1) Found in aerial part (BTO:0001658). 70% aqueous Me2CO 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 Maoecrystal M (CHEBI:70377) has role metabolite (CHEBI:25212)
Maoecrystal M (CHEBI:70377) is a triterpenoid (CHEBI:36615)
Citation Waiting for Citations Type Source
20949916 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:carboxylic ester(CHEBI:33308); ISA:organic hydroxy compound(CHEBI:33822); ISA:hemiacetal(CHEBI:5653); ISA:ketone(CHEBI:17087); ISA:monocarboxylic acid(CHEBI:25384); ISA:organonitrogen compound(CHEBI:35352);