CHEBI:191715 - Physalin A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Physalin A
ChEBI ID CHEBI:191715
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H30O10
Net Charge 0
Average Mass 526.538
Monoisotopic Mass 526.18390
InChI InChI=1S/C28H30O10/c1-12-21(32)36-17-11-23(12,2)19-20(31)27(35)18-14(24(3)13(10-15(18)29)6-5-7-16(24)30)8-9-26(34)22(33)37-25(17,4)28(19,26)38-27/h5,7,10,14-15,17-19,29,34-35H,1,6,8-9,11H2,2-4H3/t14-,15+,17+,18-,19-,23+,24-,25-,26-,27+,28-/m0/s1
InChIKey VELDODQHYQSJOF-RPKVKFPNSA-N
SMILES O1[C@]23[C@@]4([C@@]5(C[C@@](OC(=O)C5=C)([C@@]3(OC(=O)[C@@]2(O)CC[C@]6([C@]([C@]1(O)C4=O)([C@H](O)C=C7[C@]6(C)C(=O)C=CC7)[H])[H])C)[H])C)[H]
Metabolite of Species Details
Ulmus parvifolia (NCBI:txid63058) Found in bark (BTO:0001301). See: MetaboLights Study
Ulmus parvifolia (NCBI:txid63058) Found in seed (BTO:0001226). See: MetaboLights Study
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via physalin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Physalin A (CHEBI:191715) is a physalin (CHEBI:76361)
IUPAC Name
(1S,2S,3R,5R,6S,7R,14R,15S,18R,21S,22R)-5,7,18-trihydroxy-1,14,21-trimethyl-25-methylidene-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-diene-13,19,24,27-tetrone
Manual Xref Database
24710917 ChemSpider
View more database links