CHEBI:70245 - Cimiracemoside F

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ChEBI Name Cimiracemoside F
ChEBI ID CHEBI:70245
Definition A natural product found in Actaea racemosa.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C37H56O11
Net Charge 0
Average Mass 676.83390
Monoisotopic Mass 676.38226
InChI InChI=1S/C37H56O11/c1-17-25-20(47-37(43)28(17)48-32(5,6)30(37)42)13-33(7)22-10-9-21-31(3,4)23(46-29-27(41)26(40)19(39)15-44-29)11-12-35(21)16-36(22,35)14-24(34(25,33)8)45-18(2)38/h10,17,19-21,23-30,39-43H,9,11-16H2,1-8H3/t17-,19+,20-,21-,23-,24+,25-,26-,27+,28+,29-,30+,33-,34+,35+,36-,37-/m0/s1
InChIKey IHMRHYCBRKQAFU-CCPRSJHGSA-N
SMILES [H][C@]1(OC[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1CC[C@]23C[C@]22C[C@@H](OC(C)=O)[C@]4(C)[C@@]5([H])[C@H](C)[C@@]6([H])OC(C)(C)[C@@H](O)[C@@]6(O)O[C@@]5([H])C[C@@]4(C)C2=CC[C@@]3([H])C1(C)C
Metabolite of Species Details
Actaea racemosa (NCBI:txid64040) Found in rhizome (BTO:0001181). Methanolic extract of dried, ground rhizomes 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 Cimiracemoside F (CHEBI:70245) has role metabolite (CHEBI:25212)
Cimiracemoside F (CHEBI:70245) is a triterpenoid (CHEBI:36615)
Citation Waiting for Citations Type Source
21082802 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:triterpenoid(CHEBI:36615); ISA:steroid ester(CHEBI:47880); ISA:hydroxy steroid(CHEBI:35350); ISA:glycoside(CHEBI:24400); ISA:furopyran(CHEBI:74927); ISA:pyrans(CHEBI:26407); ISA:oxanes(CHEBI:46942); ISA:monosaccharide(CHEBI:35381); ISA:oxolanes(CHEBI:26912); ISA:furans(CHEBI:24129); ISA:hemiacetal(CHEBI:5653); ISA:secondary alcohol(CHEBI:35681); ISA:polyol(CHEBI:26191); ISA:carboxylic ester(CHEBI:33308); ISA:organonitrogen compound(CHEBI:35352); ISA:ether(CHEBI:25698); ISA:acetal(CHEBI:59769); ISA:carbonyl compound(CHEBI:36586);