CHEBI:192935 - Capsorubinidione

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Capsorubinidione
ChEBI ID CHEBI:192935
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C40H52O4
Net Charge 0
Average Mass 596.852
Monoisotopic Mass 596.38656
InChI InChI=1S/C40H52O4/c1-29(17-13-19-31(3)21-23-35(43)39(9)27-33(41)25-37(39,5)6)15-11-12-16-30(2)18-14-20-32(4)22-24-36(44)40(10)28-34(42)26-38(40,7)8/h11-24H,25-28H2,1-10H3/b12-11+,17-13-,18-14+,23-21-,24-22+,29-15+,30-16+,31-19+,32-20-
InChIKey YOYRSOYUXNJBMN-SBFVYLSTSA-N
SMILES O=C1CC(C(C1)(C)C(=O)/C=C\C(\C)=C\C=C/C(/C)=C/C=C/C=C(/C=C/C=C(\C=C\C(=O)C2(C(CC(=O)C2)(C)C)C)/C)\C)(C)C
Metabolite of Species Details
Cryptomeria (NCBI:txid3368) Found in needle (BTO:0000917). of strain Cryptomeria fortunei Hooibrenk See: MetaboLights Study
ChEBI Ontology
Outgoing Capsorubinidione (CHEBI:192935) is a triterpenoid (CHEBI:36615)
IUPAC Name
(2Z,4E,6Z,8E,10E,12E,14E,16Z,18E)-4,8,13,17-tetramethyl-1,20-bis(1,2,2-trimethyl-4-oxocyclopentyl)icosa-2,4,6,8,10,12,14,16,18-nonaene-1,20-dione
Manual Xrefs Databases
35014745 ChemSpider
HMDB0039091 HMDB
View more database links