CHEBI:31852 - Militarinone C

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Militarinone C
ChEBI ID CHEBI:31852
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C26H33NO4
Net Charge 0
Average Mass 423.546
Monoisotopic Mass 423.24096
InChI InChI=1S/C26H33NO4/c1-5-17(2)14-19(4)15-18(3)8-6-7-9-23(29)24-25(30)22(27-26(24)31)16-20-10-12-21(28)13-11-20/h6-13,15,17,19,22,28-29H,5,14,16H2,1-4H3,(H,27,31)/b8-6+,9-7+,18-15+,24-23+/t17-,19-,22?/m1/s1
InChIKey OHRSQSHXRITGEV-WNHHMECXSA-N
SMILES CC[C@@H](C)C[C@@H](C)\C=C(C)\C=C\C=C\C(O)=C1/C(=O)NC(Cc2ccc(O)cc2)C1=O
ChEBI Ontology
Outgoing Militarinone C (CHEBI:31852) is a monoterpenoid (CHEBI:25409)
Synonym Source
Militarinone C KEGG COMPOUND
Manual Xref Database
C12335 KEGG COMPOUND
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Last Modified
28 July 2014