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CHEBI:192935 - Capsorubinidione

Default Structure
ChEBI IDCHEBI:192935
ChEBI NameCapsorubinidione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H52O4
Net Charge0
Average Mass596.852
Monoisotopic Mass596.38656
SMILESCC(=C/C=C/C(C)=C/C=C/C=C(C)/C=C\C=C(C)\C=C/C(=O)C1(C)CC(=O)CC1(C)C)/C=C/C(=O)C1(C)CC(=O)CC1(C)C
InChIInChI=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-
InChIKeyYOYRSOYUXNJBMN-SBFVYLSTSA-N
Species of MetaboliteComponentSourceComments
Cryptomeria (ncbitaxon:3368) needle (BTO:0000917) MetaboLights (MTBLS4099) Strain: Cryptomeria fortunei Hooibrenk
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
35014745ChemSpider
HMDB0039091HMDB