CHEBI:192 - (3'R,4'R)-3'-Epoxyangeloyloxy-4'-acetoxy-3',4'-dihydroseselin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (3'R,4'R)-3'-Epoxyangeloyloxy-4'-acetoxy-3',4'-dihydroseselin
ChEBI ID CHEBI:192
Stars This entity has been manually annotated by a third party.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C21H22O8
Net Charge 0
Average Mass 402.395
Monoisotopic Mass 402.13147
InChI InChI=1S/C21H22O8/c1-10-21(5,28-10)19(24)27-18-17(25-11(2)22)15-13(29-20(18,3)4)8-6-12-7-9-14(23)26-16(12)15/h6-10,17-18H,1-5H3/t10?,17-,18-,21?/m1/s1
InChIKey JATBXVRRSYYPIL-SKGLXBPESA-N
SMILES CC1OC1(C)C(=O)O[C@@H]1[C@H](OC(C)=O)c2c(OC1(C)C)ccc1ccc(=O)oc21
ChEBI Ontology
Outgoing (3'R,4'R)-3'-Epoxyangeloyloxy-4'-acetoxy-3',4'-dihydroseselin (CHEBI:192) is a coumarins (CHEBI:23403)
Synonym Source
(3'R,4'R)-3'-Epoxyangeloyloxy-4'-acetoxy-3',4'-dihydroseselin KEGG COMPOUND
Manual Xrefs Databases
C00002470 KNApSAcK
C09262 KEGG COMPOUND
View more database links
Registry Number Type Source
11350-35-9 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014