CHEBI:6918 - Mezerein

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Mezerein
ChEBI ID CHEBI:6918
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C38H38O10
Net Charge 0
Average Mass 654.704
Monoisotopic Mass 654.24650
InChI InChI=1S/C38H38O10/c1-21(2)36-30(44-27(40)18-12-11-15-24-13-7-5-8-14-24)23(4)37-26-19-22(3)29(41)35(26,43)33(42)34(20-39)31(45-34)28(37)32(36)46-38(47-36,48-37)25-16-9-6-10-17-25/h5-19,23,26,28,30-33,39,42-43H,1,20H2,2-4H3/b15-11+,18-12+/t23-,26-,28+,30-,31+,32-,33-,34+,35-,36+,37+,38?/m1/s1
InChIKey DLEDLHFNQDHEOJ-HBJWEEFJSA-N
SMILES C[C@@H]1[C@@H](OC(=O)\C=C\C=C\c2ccccc2)[C@@]2(OC3(O[C@@H]2[C@@H]2[C@@H]4O[C@]4(CO)[C@@H](O)[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)c1ccccc1)C(C)=C
ChEBI Ontology
Outgoing Mezerein (CHEBI:6918) is a diterpenoid (CHEBI:23849)
Synonym Source
Mezerein KEGG COMPOUND
Manual Xrefs Databases
C00003454 KNApSAcK
C09134 KEGG COMPOUND
View more database links
Registry Number Type Source
34807-41-5 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014