input word = C00050566

Metabolite InformationStructural formula
Name Cryptoquinone
Formula C20H26O3
Mw 314.1881947
CAS RN 440362-13-0
C_ID C00050566
InChIKey RHYFQBRFLJYSIH-YWZLYKJASA-N
InChICode InChI=1S/C20H26O3/c1-11(2)12-9-14(22)17-16(18(12)23)13(21)10-15-19(3,4)7-6-8-20(15,17)5/h9,11,15H,6-8,10H2,1-5H3/t15-,20-/m0/s1
SMILES CC(C)C1=CC(=O)C2=C(C(=O)C[C@H]3C(C)(C)CCC[C@]23C)C1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxodiaceaeCryptomeria japonica Ref.
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OrganismCryptomeria japonica
ReferenceKofujita, et al., Phytochemistry, 61, (2002), 895.