CHEBI:1728 - 4'-Cinnamoylmussatioside

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4'-Cinnamoylmussatioside
ChEBI ID CHEBI:1728
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C34H44O16
Net Charge 0
Average Mass 708.705
Monoisotopic Mass 708.26294
InChI InChI=1S/C34H44O16/c1-17-30(49-23(37)12-9-18-5-3-2-4-6-18)31(50-33-27(41)24(38)21(36)15-45-33)29(43)34(47-17)46-16-22-25(39)26(40)28(42)32(48-22)44-14-13-19-7-10-20(35)11-8-19/h2-12,17,21-22,24-36,38-43H,13-16H2,1H3/b12-9+/t17-,21+,22+,24-,25+,26-,27+,28+,29+,30-,31-,32+,33-,34+/m0/s1
InChIKey YQECXCJMTXVAQP-VFGRUNSYSA-N
SMILES C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1OC(=O)\C=C\c1ccccc1
ChEBI Ontology
Outgoing 4'-Cinnamoylmussatioside (CHEBI:1728) is a oligosaccharide (CHEBI:50699)
Synonym Source
4'-Cinnamoylmussatioside KEGG COMPOUND
Manual Xrefs Databases
C00002726 KNApSAcK
C10439 KEGG COMPOUND
View more database links
Registry Number Type Source
110219-94-8 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014