input word = C00044968

Metabolite InformationStructural formula
Name Nootkastatin 1
Formula C21H32O2
Mw 316.24023027
CAS RN 459826-62-1
C_ID C00044968 ,
InChIKey KEZJULFFBNQVPA-KIYSYHANNA-N
InChICode InChI=1S/C21H32O2/c1-13(2)18-15(22)9-8-14-19(18)16(23-6)12-17-20(3,4)10-7-11-21(14,17)5/h8-9,13,16-17,22H,7,10-12H2,1-6H3/t16-,17-,21+/m0/s1
SMILES C1CC([C@H]2[C@](C1)(c1c([C@H](C2)OC)c(c(cc1)O)C(C)C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCupressaceaeChamaecyparis nootkatensis Ref.
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