CHEBI:6003 - Isodomedin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Isodomedin
ChEBI ID CHEBI:6003
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H32O6
Net Charge 0
Average Mass 392.487
Monoisotopic Mass 392.21989
InChI InChI=1S/C22H32O6/c1-10-12-6-7-13-21(5)14(8-16(25)22(13,18(10)26)19(12)27)20(3,4)17(9-15(21)24)28-11(2)23/h12-17,19,24-25,27H,1,6-9H2,2-5H3/t12-,13-,14+,15-,16+,17-,19+,21-,22-/m0/s1
InChIKey DHKJGTMHEVCMKJ-NWWLGSBGSA-N
SMILES CC(=O)O[C@H]1C[C@H](O)[C@@]2(C)[C@@H]3CC[C@@H]4[C@@H](O)[C@@]3([C@H](O)C[C@@H]2C1(C)C)C(=O)C4=C
ChEBI Ontology
Outgoing Isodomedin (CHEBI:6003) is a kaurane diterpenoid (CHEBI:53666)
Synonym Source
Isodomedin KEGG COMPOUND
Manual Xrefs Databases
C00003442 KNApSAcK
C09115 KEGG COMPOUND
View more database links
Registry Number Type Source
39388-61-9 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014