CHEBI:69690 - Salvadione C

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ChEBI Name Salvadione C
ChEBI ID CHEBI:69690
Definition A natural product found in Salvia hydrangea.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C30H40O5
Net Charge 0
Average Mass 480.63560
Monoisotopic Mass 480.28757
InChI InChI=1S/C30H40O5/c1-7-18-13-19-21-25(6,33)16-34-30-23(32)29(21,17(2)3)22(31)26(14-18)12-9-20-24(4,5)10-8-11-27(20,35-30)15-28(19,26)30/h7,13,17,19-21,33H,1,8-12,14-16H2,2-6H3/t19-,20+,21+,25-,26+,27+,28+,29-,30+/m1/s1
InChIKey FOQBZJXMAZZAIA-NQWLPLNFSA-N
SMILES [H][C@@]12CC[C@@]34CC(C=C)=C[C@]5([H])[C@@]6([H])[C@](C)(O)CO[C@]7(O[C@@]1(CCCC2(C)C)C[C@@]357)C(=O)[C@@]6(C(C)C)C4=O
Metabolite of Species Details
Salvia hydrangea (NCBI:txid392666) Found in aerial part (BTO:0001658). n-Hexane extract of air-dried, 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 Salvadione C (CHEBI:69690) has role metabolite (CHEBI:25212)
Salvadione C (CHEBI:69690) is a oxacycle (CHEBI:38104)
Citation Waiting for Citations Type Source
21967089 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:cyclohexanones(CHEBI:23482); ISA:tertiary alcohol(CHEBI:26878); ISA:oxolanes(CHEBI:26912); ISA:acetal(CHEBI:59769);