CHEBI:70356 - Eriocasin B, (rel)-

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ChEBI Name Eriocasin B, (rel)-
ChEBI ID CHEBI:70356
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 C20H28O4
Net Charge 0
Average Mass 332.43390
Monoisotopic Mass 332.19876
InChI InChI=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
InChIKey KHXPUTCGVCTBNK-IBKORDLPSA-N
SMILES [H][C@]12[C@H](O)C(=O)C3=C(CC[C@H](C3)C(=C)C=O)[C@]1(C)CC[C@@H](O)C2(C)C
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 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)-diene ChEBI
Citation Waiting for Citations Type Source
20949916 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:phenanthrenes(CHEBI:25961); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:ketone(CHEBI:17087); ISA:secondary alcohol(CHEBI:35681); ISA:organic hydroxy compound(CHEBI:33822); ISA:organonitrogen compound(CHEBI:35352); ISA:aldehyde(CHEBI:17478);