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CHEBI:70389 - Sculponeatin C

ChEBI IDCHEBI:70389
ChEBI NameSculponeatin C
Stars
DefinitionA natural product found in Isodon eriocalyx.
Last Modified22 September 2014
DownloadsMolfile
FormulaC20H24O6
Net Charge0
Average Mass360.406
Monoisotopic Mass360.15729
SMILES[H][C@@]12C[C@@H](O)[C@]3([H])[C@](C1)(C(=O)OC[C@]31[C@@H]3CC[C@@]4(C)CO[C@H](O3)[C@]41[H])C(=O)C2=C
InChIInChI=1S/C20H24O6/c1-9-10-5-11(21)13-19(6-10,15(9)22)17(23)25-8-20(13)12-3-4-18(2)7-24-16(26-12)14(18)20/h10-14,16,21H,1,3-8H2,2H3/t10-,11-,12+,13-,14-,16-,18+,19+,20+/m1/s1
InChIKeyJWBVQJZXSQDXKU-DOAWMXAISA-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)
Sculponeatin C (CHEBI:70389) has role metabolite (CHEBI:25212)
Sculponeatin C (CHEBI:70389) is a furofuran (CHEBI:47790)
Citations