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CHEBI:227469 - Cristaldehyde B

ChEBI IDCHEBI:227469
ChEBI NameCristaldehyde B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H38O6
Net Charge0
Average Mass542.672
Monoisotopic Mass542.26684
SMILESCCCCCC1=Cc2c(cc(CC=C(C)C)c(O)c2C=O)O[C@@]12C=Cc1c(cc(CC=C(C)C)c(O)c1C=O)O2
InChIInChI=1S/C34H38O6/c1-6-7-8-9-25-18-27-29(20-36)33(38)24(13-11-22(4)5)17-31(27)40-34(25)15-14-26-28(19-35)32(37)23(12-10-21(2)3)16-30(26)39-34/h10-11,14-20,37-38H,6-9,12-13H2,1-5H3/t34-/m0/s1
InChIKeyQYGLRRWJZGVESM-UMSFTDKQSA-N
Species of MetaboliteComponentSourceComments
Aspergillus cristatus (ncbitaxon:573508) - PubMed (30529862)
ChEBI Ontology
Outgoing Relation(s)
Cristaldehyde B (CHEBI:227469) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
6,6'-dihydroxy-7,7'-bis(3-methylbut-2-enyl)-3'-pentyl-2,2'-spirobi[chromene]-5,5'-dicarbaldehyde