CHEBI:70606 - Gumoside A

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ChEBI Name Gumoside A
ChEBI ID CHEBI:70606
Definition A natural product found in Ferula gumosa.
Stars This entity has been manually annotated by a third party.
Supplier Information ZINC000082136600
Download Molfile XML SDF
Formula C35H48O14
Net Charge 0
Average Mass 692.74720
Monoisotopic Mass 692.30441
InChI InChI=1S/C35H48O14/c1-17-11-22(48-31-28(41)27(40)26(39)23(49-31)14-45-32-30(42)35(43,15-36)16-46-32)29-33(2,3)24(37)9-10-34(29,4)20(17)13-44-19-7-5-18-6-8-25(38)47-21(18)12-19/h5-8,12,20,22-24,26-32,36-37,39-43H,1,9-11,13-16H2,2-4H3/t20-,22-,23-,24-,26-,27+,28-,29-,30+,31-,32-,34+,35-/m1/s1
InChIKey NYTFNIAPHAVHOA-ORYSZERHSA-N
SMILES [H][C@]1(O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[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 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 Gumoside A (CHEBI:70606) has role metabolite (CHEBI:25212)
Gumoside A (CHEBI:70606) is a coumarins (CHEBI:23403)
Citation Waiting for Citations Type Source
20961138 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:glycoside(CHEBI:24400); ISA:disaccharide(CHEBI:36233); 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:tertiary alcohol(CHEBI:26878); ISA:oxolanes(CHEBI:26912); 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);