CHEBI:70374 - maoecrystal R

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ChEBI Name maoecrystal R
ChEBI ID CHEBI:70374
Definition A natural product found in Isodon eriocalyx.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C26H34O9
Net Charge 0
Average Mass 490.54280
Monoisotopic Mass 490.22028
InChI InChI=1S/C26H34O9/c1-13-17-6-7-18-24-12-33-26(31,25(18,10-17)21(13)30)22(35-16(4)29)20(24)23(5,11-32-14(2)27)9-8-19(24)34-15(3)28/h17-20,22,31H,1,6-12H2,2-5H3/t17?,18-,19+,20+,22-,23+,24+,25-,26-/m0/s1
InChIKey NETLVPWZRKTNPY-CXVKUEKLSA-N
SMILES [H][C@@]12CC[C@H]3C[C@]1(C(=O)C3=C)[C@@]1(O)OC[C@]22[C@@H](CC[C@](C)(COC(C)=O)[C@@]2([H])[C@@H]1OC(C)=O)OC(C)=O
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 R (CHEBI:70374) has role metabolite (CHEBI:25212)
maoecrystal R (CHEBI:70374) is a kaurane diterpenoid (CHEBI:53666)
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:hemiacetal(CHEBI:5653); ISA:ketone(CHEBI:17087); ISA:carboxylic ester(CHEBI:33308); ISA:organic hydroxy compound(CHEBI:33822); ISA:monocarboxylic acid(CHEBI:25384); ISA:organonitrogen compound(CHEBI:35352);