CHEBI:70249 - 25-O-anhydrocimigenol 3-O-alpha-L-arabinopyranoside

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ChEBI Name 25-O-anhydrocimigenol 3-O-alpha-L-arabinopyranoside
ChEBI ID CHEBI:70249
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 C35H54O8
Net Charge 0
Average Mass 602.79850
Monoisotopic Mass 602.38187
InChI InChI=1S/C35H54O8/c1-17(2)26-20-14-18(3)27-31(6)12-13-34-16-33(34)11-10-23(41-28-25(38)24(37)19(36)15-40-28)30(4,5)21(33)8-9-22(34)32(31,7)29(39)35(27,42-20)43-26/h18-29,36-39H,1,8-16H2,2-7H3/t18-,19+,20-,21+,22+,23+,24+,25-,26-,27-,28+,29-,31-,32-,33-,34+,35+/m1/s1
InChIKey CVBALRXHSITZGC-KVIXFTAMSA-N
SMILES [H][C@@]12C[C@@H](C)[C@]3([H])[C@@]4(C)CC[C@@]56C[C@@]55CC[C@H](O[C@]7([H])OC[C@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@]5([H])CC[C@@]6([H])[C@]4(C)[C@@H](O)[C@]3(O[C@@H]1C(C)=C)O2
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 25-O-anhydrocimigenol 3-O-alpha-L-arabinopyranoside (CHEBI:70249) has role metabolite (CHEBI:25212)
25-O-anhydrocimigenol 3-O-alpha-L-arabinopyranoside (CHEBI:70249) 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:hydroxy steroid(CHEBI:35350); ISA:glycoside(CHEBI:24400); ISA:oxacycle(CHEBI:38104); ISA:monosaccharide(CHEBI:35381); ISA:oxanes(CHEBI:46942); ISA:dioxolane(CHEBI:39430); ISA:organic hydroxy compound(CHEBI:33822); ISA:polyol(CHEBI:26191); ISA:secondary alcohol(CHEBI:35681); ISA:acetal(CHEBI:59769);