CHEBI:70608 - cauferoside

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ChEBI Name cauferoside
ChEBI ID CHEBI:70608
Definition A natural product found in Ferula gumosa and Ferula conocaula.
Stars This entity has been manually annotated by a third party.
Supplier Information ZINC000032296380
Download Molfile XML SDF
Formula C30H40O10
Net Charge 0
Average Mass 560.63260
Monoisotopic Mass 560.26215
InChI InChI=1S/C30H40O10/c1-15-11-20(39-28-26(36)25(35)24(34)21(13-31)40-28)27-29(2,3)22(32)9-10-30(27,4)18(15)14-37-17-7-5-16-6-8-23(33)38-19(16)12-17/h5-8,12,18,20-22,24-28,31-32,34-36H,1,9-11,13-14H2,2-4H3/t18-,20-,21-,22-,24-,25+,26-,27-,28-,30+/m1/s1
InChIKey QXUYLJHWIGWKRJ-SZGIIFIUSA-N
SMILES [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1CC(=C)[C@@H](COc2ccc3ccc(=O)oc3c2)[C@]2(C)CC[C@@H](O)C(C)(C)[C@@]12[H]
Metabolite of Species Details
Ferula conocaula (IPNI:842239-1) See: PubMed
Ferula gumosa (NCBI:txid371349) Found in root (BTO:0001188). The plant powder was extracted with MeOH 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 cauferoside (CHEBI:70608) has role metabolite (CHEBI:25212)
cauferoside (CHEBI:70608) is a glycoside (CHEBI:24400)
Citation Type Source
20961138 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:hexose(CHEBI:18133); ISA:coumarins(CHEBI:23403); ISA:1-benzopyran(CHEBI:38443); ISA:pyranone(CHEBI:37963); ISA:aromatic ether(CHEBI:35618); ISA:benzenoid aromatic compound(CHEBI:33836); ISA:oxanes(CHEBI:46942); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:organic hydroxy compound(CHEBI:33822); ISA:lactone(CHEBI:25000); ISA:secondary alcohol(CHEBI:35681); ISA:polyol(CHEBI:26191); ISA:acetal(CHEBI:59769); ISA:primary alcohol(CHEBI:15734);