CHEBI:4517 - Didrovaltratum

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Didrovaltratum
ChEBI ID CHEBI:4517
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H32O8
Net Charge 0
Average Mass 424.486
Monoisotopic Mass 424.20972
InChI InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1
InChIKey PHHROXLDZHUIGO-PNBTUHDLSA-N
SMILES CC(C)CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2[C@@H]1C[C@H](OC(C)=O)[C@]21CO1
ChEBI Ontology
Outgoing Didrovaltratum (CHEBI:4517) is a iridoid monoterpenoid (CHEBI:50563)
Synonyms Sources
Didrovaltrate KEGG COMPOUND
Didrovaltratum KEGG COMPOUND
Manual Xrefs Databases
C00003078 KNApSAcK
C09776 KEGG COMPOUND
View more database links
Registry Number Type Source
18296-45-2 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014