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CHEBI:192923 - Capsochrome

Default Structure
ChEBI IDCHEBI:192923
ChEBI NameCapsochrome
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H56O4
Net Charge0
Average Mass600.884
Monoisotopic Mass600.41786
SMILESCC(=C/C=C\C(C)=C\C=C/C(C)=C/C=C/C=C(/C)C1C=C2C(C)(C)CC(O)CC2(C)O1)/C=C/C(=O)C1(C)CC(O)CC1(C)C
InChIInChI=1S/C40H56O4/c1-28(15-11-12-20-31(4)34-23-35-37(5,6)24-32(41)27-40(35,10)44-34)16-13-17-29(2)18-14-19-30(3)21-22-36(43)39(9)26-33(42)25-38(39,7)8/h11-23,32-34,41-42H,24-27H2,1-10H3/b12-11+,16-13-,18-14-,22-21+,28-15+,29-17+,30-19-,31-20-
InChIKeyPLVBBQBJTBWTDY-XGNSBGGRSA-N
Species of MetaboliteComponentSourceComments
Cryptomeria (ncbitaxon:3368) needle (BTO:0000917) MetaboLights (MTBLS4099) Strain: Cryptomeria fortunei Hooibrenk
ChEBI Ontology
Outgoing Relation(s)
Capsochrome (CHEBI:192923) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2E,4Z,6Z,8E,10Z,12E,14E,16Z)-17-(6-hydroxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzouran-2-yl)-1-(4-hydroxy-1,2,2-trimethylcyclopentyl)-4,8,12-trimethyloctadeca-2,4,6,8,10,12,14,16-octaen-1-one
Manual XrefsDatabases
35014311ChemSpider
HMDB0036913HMDB