CHEBI:66490 - 7-O-Nicotinoyl scutebarbatine H, (rel)

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ChEBI Name 7-O-Nicotinoyl scutebarbatine H, (rel)
ChEBI ID CHEBI:66490
Definition A natural product found in Scutellaria barbata.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C32H34N2O8
Net Charge 0
Average Mass 574.62100
Monoisotopic Mass 574.23152
InChI InChI=1S/C32H34N2O8/c1-18-8-5-11-22-30(18,2)25(41-27(35)19-9-6-12-33-15-19)26(42-28(36)20-10-7-13-34-16-20)32(4,38)31(22,3)23-14-21-17-39-29(37)24(21)40-23/h6-10,12-13,15-16,22-23,25-26,38H,5,11,14,17H2,1-4H3/t22-,23+,25-,26-,30-,31-,32-/m0/s1
InChIKey SWHUWIGLVRXJBW-IVZGSMFXSA-N
SMILES [H][C@@]1(CC2=C(O1)C(=O)OC2)[C@]1(C)[C@@]2([H])CCC=C(C)[C@]2(C)[C@@H](OC(=O)c2cccnc2)[C@H](OC(=O)c2cccnc2)[C@]1(C)O
Metabolite of Species Details
Scutellaria barbata (NCBI:txid396367) Found in aerial part (BTO:0001658). 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.
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ChEBI Ontology
Outgoing 7-O-Nicotinoyl scutebarbatine H, (rel) (CHEBI:66490) has role metabolite (CHEBI:25212)
7-O-Nicotinoyl scutebarbatine H, (rel) (CHEBI:66490) is a diterpene lactone (CHEBI:49193)
Citation Waiting for Citations Type Source
17666848 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:diterpenoid(CHEBI:23849); ISA:pyridines(CHEBI:26421); ISA:aromatic carboxylic acid(CHEBI:33859); ISA:carbonyl compound(CHEBI:36586); ISA:butenolide(CHEBI:50523); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enoate ester(CHEBI:51702); ISA:tertiary alcohol(CHEBI:26878); ISA:lactone(CHEBI:25000); ISA:organic hydroxy compound(CHEBI:33822); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352);