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CHEBI:70356 - Eriocasin B, (rel)-

ChEBI IDCHEBI:70356
ChEBI NameEriocasin B, (rel)-
Stars
DefinitionA natural product found in Isodon eriocalyx.
Last Modified22 September 2014
DownloadsMolfile
FormulaC20H28O4
Net Charge0
Average Mass332.440
Monoisotopic Mass332.19876
SMILES[H][C@]12[C@H](O)C(=O)C3=C(CC[C@@H](C(=C)C=O)C3)[C@]1(C)CC[C@@H](O)C2(C)C
InChIInChI=1S/C20H28O4/c1-11(10-21)12-5-6-14-13(9-12)16(23)17(24)18-19(2,3)15(22)7-8-20(14,18)4/h10,12,15,17-18,22,24H,1,5-9H2,2-4H3/t12-,15-,17-,18-,20+/m1/s1
InChIKeyKHXPUTCGVCTBNK-IBKORDLPSA-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)
Eriocasin B, (rel)- (CHEBI:70356) has role metabolite (CHEBI:25212)
Eriocasin B, (rel)- (CHEBI:70356) is a diterpenoid (CHEBI:23849)
Synonym  Source
rel-3alpha,6beta-dihydroxy-7,16-dioxo-ent-abieta-8(9),15(17)-dieneChEBI
Citations